CID 109282

68298-76-0

Structural Information

Molecular Formula
C24H28F9N3O8S
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(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C24H28F9N3O8S/c1-6-36(45(40,41)24(32,33)22(27,28)21(25,26)23(29,30)31)9-10-42-19(38)34-16-8-7-14(4)17(11-16)35-20(39)44-15(5)12-43-18(37)13(2)3/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,34,38)(H,35,39)
InChIKey
ZNHAMOMCVOBRLM-UHFFFAOYSA-N
Compound name
2-[[5-[2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethoxycarbonylamino]-2-methylphenyl]carbamoyloxy]propyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

689.1453 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 690.15258 193.2
[M+Na]+ 712.13452 195.1
[M+NH4]+ 707.17912 264.5
[M+K]+ 728.10846 197.3
[M-H]- 688.13802 192.6
[M+Na-2H]- 710.11997 190.6
[M]+ 689.14475 194.2
[M]- 689.14585 194.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.