CID 3067501

Brn 5139412

Structural Information

Molecular Formula
C12H14N4O6S
SMILES
CNC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NC
InChI
InChI=1S/C12H14N4O6S/c1-13-9(17)11(19)15-7-3-5-8(6-4-7)23(21,22)16-12(20)10(18)14-2/h3-6H,1-2H3,(H,13,17)(H,14,18)(H,15,19)(H,16,20)
InChIKey
VQBNAQZYMBGKCN-UHFFFAOYSA-N
Compound name
N-methyl-N'-[4-[[2-(methylamino)-2-oxoacetyl]sulfamoyl]phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.06342 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.07070 173.4
[M+Na]+ 365.05264 176.7
[M-H]- 341.05614 176.5
[M+NH4]+ 360.09724 185.0
[M+K]+ 381.02658 175.5
[M+H-H2O]+ 325.06068 165.3
[M+HCOO]- 387.06162 192.0
[M+CH3COO]- 401.07727 214.0
[M+Na-2H]- 363.03809 175.7
[M]+ 342.06287 174.3
[M]- 342.06397 174.3
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.