CID 131752767

Carotamine

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₃

SMILES

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)O)N)N

InChI

InChI=1S/C14H13N3O3/c15-9-3-1-8(2-4-9)13(18)17-10-5-6-11(14(19)20)12(16)7-10/h1-7H,15-16H2,(H,17,18)(H,19,20)

InChIKey

GGUOSFAJMKBDFW-UHFFFAOYSA-N

Compound name

2-amino-4-[(4-aminobenzoyl)amino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 271.0957 Da
Monoisotopic Mass: 2.3
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]+	272.10298	160.5
[M+Na]+	294.08492	166.7
[M-H]-	270.08842	165.6
[M+NH4]+	289.12952	174.5
[M+K]+	310.05886	163.1
[M+H-H2O]+	254.09296	152.6
[M+HCOO]-	316.09390	184.1
[M+CH3COO]-	330.10955	203.5
[M+Na-2H]-	292.07037	162.6
[M]+	271.09515	156.4
[M]-	271.09625	156.4

Literature stripe

literature stripe

Patent stripe

patents stripe