PubChemLite - 68298-75-9 (C25H28F11N3O8S)

Structural Information

Molecular Formula

SMILES

CCN(CCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OC(C)COC(=O)C(=C)C)S(=O)(=O)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C25H28F11N3O8S/c1-6-39(48(43,44)25(35,36)23(30,31)21(26,27)22(28,29)24(32,33)34)9-10-45-19(41)37-16-8-7-14(4)17(11-16)38-20(42)47-15(5)12-46-18(40)13(2)3/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,37,41)(H,38,42)

InChIKey

OBPWLOPGKWGMTO-UHFFFAOYSA-N

Compound name

2-[[5-[2-[ethyl(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentylsulfonyl)amino]ethoxycarbonylamino]-2-methylphenyl]carbamoyloxy]propyl 2-methylprop-2-enoate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	740.14943	224.6
[M+Na]+	762.13137	235.2
[M-H]-	738.13487	242.8
[M+NH4]+	757.17597	244.3
[M+K]+	778.10531	239.7
[M+H-H2O]+	722.13941	218.4
[M+HCOO]-	784.14035	231.3
[M+CH3COO]-	798.15600	281.3
[M+Na-2H]-	760.11682	219.1
[M]+	739.14160	222.2
[M]-	739.14270	222.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

740.14943

224.6

[M+Na]+

762.13137

235.2

[M-H]-

738.13487

242.8

[M+NH4]+

757.17597

244.3

[M+K]+

778.10531

239.7

[M+H-H2O]+

722.13941

218.4

[M+HCOO]-

784.14035

231.3

[M+CH3COO]-

798.15600

281.3

[M+Na-2H]-

760.11682

219.1

[M]+

739.14160

222.2

[M]-

739.14270

222.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

68298-75-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe