CID 12709656

N-(3,4-diaminophenyl)methanesulfonamide

Structural Information

Molecular Formula
C7H11N3O2S
SMILES
CS(=O)(=O)NC1=CC(=C(C=C1)N)N
InChI
InChI=1S/C7H11N3O2S/c1-13(11,12)10-5-2-3-6(8)7(9)4-5/h2-4,10H,8-9H2,1H3
InChIKey
RJRPDVXFBHRUAC-UHFFFAOYSA-N
Compound name
N-(3,4-diaminophenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

201.0572 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.064476 139.3
[M+Na]+ 224.046418 147.4
[M-H]- 200.049924 142.5
[M+NH4]+ 219.091023 157.6
[M+K]+ 240.020358 143.9
[M+H-H2O]+ 184.054460 133.0
[M+HCOO]- 246.055401 159.7
[M+CH3COO]- 260.071051 188.1
[M+Na-2H]- 222.031866 143.6
[M]+ 201.05665142 137.7
[M]- 201.05774858 137.7
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