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

88
Patents

201.0572 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.06448 139.3
[M+Na]+ 224.04642 147.4
[M-H]- 200.04992 142.5
[M+NH4]+ 219.09102 157.6
[M+K]+ 240.02036 143.9
[M+H-H2O]+ 184.05446 133.0
[M+HCOO]- 246.05540 159.7
[M+CH3COO]- 260.07105 188.1
[M+Na-2H]- 222.03187 143.6
[M]+ 201.05665 137.7
[M]- 201.05775 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