CID 689869

54161-63-6

Structural Information

Molecular Formula

C₁₅H₁₃N₃O

SMILES

COC1=CC=C(C=C1)C=NC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C15H13N3O/c1-19-12-8-6-11(7-9-12)10-16-15-17-13-4-2-3-5-14(13)18-15/h2-10H,1H3,(H,17,18)

InChIKey

DDNITXQZCRTCOD-UHFFFAOYSA-N

Compound name

N-(1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 251.10587 Da
Monoisotopic Mass: 2.9
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]+	252.113146	154.9
[M+Na]+	274.095088	164.8
[M-H]-	250.098594	160.6
[M+NH4]+	269.139693	171.9
[M+K]+	290.069028	159.3
[M+H-H2O]+	234.103130	145.9
[M+HCOO]-	296.104071	179.8
[M+CH3COO]-	310.119721	167.8
[M+Na-2H]-	272.080536	162.9
[M]+	251.10532142	157.1
[M]-	251.10641858	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe