CID 21149536

70900-34-4

Structural Information

Molecular Formula
C29H30F17N3O8S
SMILES
CC1=C(C=C(C=C1)NC(=O)OCCCCN(C)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NC(=O)OC(C)COC(=O)C(=C)C
InChI
InChI=1S/C29H30F17N3O8S/c1-14(2)19(50)56-13-16(4)57-21(52)48-18-12-17(9-8-15(18)3)47-20(51)55-11-7-6-10-49(5)58(53,54)29(45,46)27(40,41)25(36,37)23(32,33)22(30,31)24(34,35)26(38,39)28(42,43)44/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,47,51)(H,48,52)
InChIKey
UJJKZLHNWMZYJC-UHFFFAOYSA-N
Compound name
2-[[5-[4-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl(methyl)amino]butoxycarbonylamino]-2-methylphenyl]carbamoyloxy]propyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

903.1482 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 904.155476 246.6
[M+Na]+ 926.137418 254.6
[M-H]- 902.140924 267.6
[M+NH4]+ 921.182023 268.1
[M+K]+ 942.111358 265.6
[M+H-H2O]+ 886.145460 236.4
[M+HCOO]- 948.146401 252.4
[M+CH3COO]- 962.162051 298.6
[M+Na-2H]- 924.122866 241.4
[M]+ 903.14765142 246.0
[M]- 903.14874858 246.0
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.