CID 617853

N2-formylsulfisomidine

Structural Information

Molecular Formula
C13H14N4O3S
SMILES
CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC=O
InChI
InChI=1S/C13H14N4O3S/c1-9-7-13(16-10(2)15-9)17-21(19,20)12-5-3-11(4-6-12)14-8-18/h3-8H,1-2H3,(H,14,18)(H,15,16,17)
InChIKey
LACNPVKUGFOYFW-UHFFFAOYSA-N
Compound name
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

601
Patents

306.07867 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.08595 168.2
[M+Na]+ 329.06789 177.1
[M-H]- 305.07139 173.0
[M+NH4]+ 324.11249 180.3
[M+K]+ 345.04183 171.9
[M+H-H2O]+ 289.07593 159.3
[M+HCOO]- 351.07687 186.5
[M+CH3COO]- 365.09252 206.0
[M+Na-2H]- 327.05334 173.8
[M]+ 306.07812 171.2
[M]- 306.07922 171.2
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

patents stripe