CID 209959

20801-63-2

Structural Information

Molecular Formula

C₁₅H₁₅N₃O

SMILES

C1=CC=C(C=C1)CN=C(N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H15N3O/c16-15(17-11-12-7-3-1-4-8-12)18-14(19)13-9-5-2-6-10-13/h1-10H,11H2,(H3,16,17,18,19)

InChIKey

LKUIKHYCBHPKEQ-UHFFFAOYSA-N

Compound name

N-(N'-benzylcarbamimidoyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 253.1215 Da
Monoisotopic Mass: 2.7
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]+	254.12878	158.1
[M+Na]+	276.11072	162.3
[M-H]-	252.11422	165.2
[M+NH4]+	271.15532	173.9
[M+K]+	292.08466	159.0
[M+H-H2O]+	236.11876	149.4
[M+HCOO]-	298.11970	184.7
[M+CH3COO]-	312.13535	202.0
[M+Na-2H]-	274.09617	163.8
[M]+	253.12095	154.8
[M]-	253.12205	154.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.