CID 3017841

68298-73-7

Structural Information

Molecular Formula
C27H28F15N3O8S
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(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C27H28F15N3O8S/c1-6-45(54(49,50)27(41,42)25(36,37)23(32,33)21(28,29)22(30,31)24(34,35)26(38,39)40)9-10-51-19(47)43-16-8-7-14(4)17(11-16)44-20(48)53-15(5)12-52-18(46)13(2)3/h7-8,11,15H,2,6,9-10,12H2,1,3-5H3,(H,43,47)(H,44,48)
InChIKey
RPJIZRHOCVMSSZ-UHFFFAOYSA-N
Compound name
2-[[5-[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptylsulfonyl)amino]ethoxycarbonylamino]-2-methylphenyl]carbamoyloxy]propyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

839.13574 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 840.14302 236.5
[M+Na]+ 862.12496 245.5
[M-H]- 838.12846 256.9
[M+NH4]+ 857.16956 257.6
[M+K]+ 878.09890 254.3
[M+H-H2O]+ 822.13300 227.5
[M+HCOO]- 884.13394 242.9
[M+CH3COO]- 898.14959 292.2
[M+Na-2H]- 860.11041 231.5
[M]+ 839.13519 235.2
[M]- 839.13629 235.2
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.