CID 291832

40887-05-6

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

C1=CC=C(C=C1)COC(=O)NNC2=CC=CC=C2

InChI

InChI=1S/C14H14N2O2/c17-14(16-15-13-9-5-2-6-10-13)18-11-12-7-3-1-4-8-12/h1-10,15H,11H2,(H,16,17)

InChIKey

AOCSTDDQEMIYAG-UHFFFAOYSA-N

Compound name

benzyl N-anilinocarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 15
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]+	243.112806	153.0
[M+Na]+	265.094748	157.8
[M-H]-	241.098254	159.3
[M+NH4]+	260.139353	169.1
[M+K]+	281.068688	154.8
[M+H-H2O]+	225.102790	144.7
[M+HCOO]-	287.103731	179.1
[M+CH3COO]-	301.119381	194.7
[M+Na-2H]-	263.080196	160.7
[M]+	242.10498142	151.9
[M]-	242.10607858	151.9

Literature stripe

literature stripe

Patent stripe

patents stripe