CID 116716

70900-38-8

Structural Information

Molecular Formula
C25H30F9N3O8S
SMILES
CC1=C(C=C(C=C1)NC(=O)OCCCCN(C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)NC(=O)OC(C)COC(=O)C(=C)C
InChI
InChI=1S/C25H30F9N3O8S/c1-14(2)19(38)44-13-16(4)45-21(40)36-18-12-17(9-8-15(18)3)35-20(39)43-11-7-6-10-37(5)46(41,42)25(33,34)23(28,29)22(26,27)24(30,31)32/h8-9,12,16H,1,6-7,10-11,13H2,2-5H3,(H,35,39)(H,36,40)
InChIKey
XQSZCZOJXPNZGJ-UHFFFAOYSA-N
Compound name
2-[[2-methyl-5-[4-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]butoxycarbonylamino]phenyl]carbamoyloxy]propyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

703.161 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 704.16828 194.4
[M+Na]+ 726.15022 196.3
[M+NH4]+ 721.19482 265.7
[M+K]+ 742.12416 198.4
[M-H]- 702.15372 193.7
[M+Na-2H]- 724.13567 191.7
[M]+ 703.16045 195.4
[M]- 703.16155 195.4
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.