CID 139596299

Ns00010177

Structural Information

Molecular Formula
C25H28F18N4O8S2
SMILES
CCN(CCOC(NC1=CC(=C(C=C1)C)NC(=O)OCCN(CC)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C25H28F18N4O8S2/c1-4-46(56(50,51)24(40,41)20(30,31)18(26,27)22(34,35)36)8-10-54-16(48)44-14-7-6-13(3)15(12-14)45-17(49)55-11-9-47(5-2)57(52,53)25(42,43)21(32,33)19(28,29)23(37,38)39/h6-7,12,16,44,48H,4-5,8-11H2,1-3H3,(H,45,49)
InChIKey
NSMGTPZGZBMGJW-UHFFFAOYSA-N
Compound name
2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl N-[5-[[2-[ethyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethoxy-hydroxymethyl]amino]-2-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

918.10614 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 919.11342 232.7
[M+Na]+ 941.09536 238.2
[M-H]- 917.09886 251.2
[M+NH4]+ 936.13996 250.1
[M+K]+ 957.06930 249.2
[M+H-H2O]+ 901.10340 220.3
[M+HCOO]- 963.10434 240.8
[M+CH3COO]- 977.11999 297.2
[M+Na-2H]- 939.08081 228.1
[M]+ 918.10559 232.4
[M]- 918.10669 232.4
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.