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]+ 904.15548 246.6
[M+Na]+ 926.13742 254.6
[M-H]- 902.14092 267.6
[M+NH4]+ 921.18202 268.1
[M+K]+ 942.11136 265.6
[M+H-H2O]+ 886.14546 236.4
[M+HCOO]- 948.14640 252.4
[M+CH3COO]- 962.16205 298.6
[M+Na-2H]- 924.12287 241.4
[M]+ 903.14765 246.0
[M]- 903.14875 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.