CID 6474158

N-(6-sulfanilylmetanilyl)crotonamide

Structural Information

Molecular Formula
C16H17N3O5S2
SMILES
C/C=C/C(=O)NS(=O)(=O)C1=C(C=CC(=C1)N)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C16H17N3O5S2/c1-2-3-16(20)19-26(23,24)15-10-12(18)6-9-14(15)25(21,22)13-7-4-11(17)5-8-13/h2-10H,17-18H2,1H3,(H,19,20)/b3-2+
InChIKey
GXOHHRYFGFWEBA-NSCUHMNNSA-N
Compound name
(E)-N-[5-amino-2-(4-aminophenyl)sulfonylphenyl]sulfonylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.06097 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.06825 189.1
[M+Na]+ 418.05019 194.9
[M-H]- 394.05369 193.6
[M+NH4]+ 413.09479 198.6
[M+K]+ 434.02413 187.9
[M+H-H2O]+ 378.05823 180.7
[M+HCOO]- 440.05917 200.9
[M+CH3COO]- 454.07482 220.4
[M+Na-2H]- 416.03564 191.6
[M]+ 395.06042 189.2
[M]- 395.06152 189.2
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.