CID 1622599

37560-05-7

Structural Information

Molecular Formula
C16H16N4O5S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C\C(=O)O)C
InChI
InChI=1S/C16H16N4O5S/c1-10-9-11(2)18-16(17-10)20-26(24,25)13-5-3-12(4-6-13)19-14(21)7-8-15(22)23/h3-9H,1-2H3,(H,19,21)(H,22,23)(H,17,18,20)/b8-7-
InChIKey
BUGYDSJZQNENIV-FPLPWBNLSA-N
Compound name
(Z)-4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.08414 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.09142 183.7
[M+Na]+ 399.07336 192.6
[M+NH4]+ 394.11796 186.3
[M+K]+ 415.04730 188.1
[M-H]- 375.07686 183.5
[M+Na-2H]- 397.05881 188.2
[M]+ 376.08359 184.8
[M]- 376.08469 184.8
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.