CID 139597871

Apmp

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

CC1=CC(=CC=C1)NC(=O)OC2=CC=CC(=C2)N

InChI

InChI=1S/C14H14N2O2/c1-10-4-2-6-12(8-10)16-14(17)18-13-7-3-5-11(15)9-13/h2-9H,15H2,1H3,(H,16,17)

InChIKey

XPSGWCDMGOETNA-UHFFFAOYSA-N

Compound name

(3-aminophenyl) N-(3-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 310
Patents: 242.10553 Da
Monoisotopic Mass: 3.3
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]+	243.11281	154.1
[M+Na]+	265.09475	160.9
[M-H]-	241.09825	160.8
[M+NH4]+	260.13935	170.7
[M+K]+	281.06869	157.7
[M+H-H2O]+	225.10279	146.3
[M+HCOO]-	287.10373	179.6
[M+CH3COO]-	301.11938	196.5
[M+Na-2H]-	263.08020	159.3
[M]+	242.10498	153.0
[M]-	242.10608	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe