CID 44151472

79392-41-9

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₃S

SMILES

CC1=CC(=C(C=C1C2=C(C=C(C=C2)N)C)S(=O)(=O)O)N

InChI

InChI=1S/C14H16N2O3S/c1-8-5-10(15)3-4-11(8)12-7-14(20(17,18)19)13(16)6-9(12)2/h3-7H,15-16H2,1-2H3,(H,17,18,19)

InChIKey

OPNYQMLDNXVVPX-UHFFFAOYSA-N

Compound name

2-amino-5-(4-amino-2-methylphenyl)-4-methylbenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 292.08817 Da
Monoisotopic Mass: 2.2
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]+	293.095446	165.0
[M+Na]+	315.077388	174.3
[M-H]-	291.080894	170.5
[M+NH4]+	310.121993	179.7
[M+K]+	331.051328	168.8
[M+H-H2O]+	275.085430	158.1
[M+HCOO]-	337.086371	182.5
[M+CH3COO]-	351.102021	203.6
[M+Na-2H]-	313.062836	166.1
[M]+	292.08762142	165.2
[M]-	292.08871858	165.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe