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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	202.06448	140.8
[M+Na]+	224.04642	149.4
[M+NH4]+	219.09102	147.7
[M+K]+	240.02036	144.0
[M-H]-	200.04992	142.6
[M+Na-2H]-	222.03187	145.6
[M]+	201.05665	142.6
[M]-	201.05775	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe