CID 43148821

33235-40-4

Structural Information

Molecular Formula

C₁₄H₁₃N₃O

SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2N

InChI

InChI=1S/C14H13N3O/c1-18-11-8-6-10(7-9-11)17-13-5-3-2-4-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)

InChIKey

JVPLJKXNGDCRGS-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)benzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 239.10587 Da
Monoisotopic Mass: 2.6
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]+	240.11315	151.9
[M+Na]+	262.09509	162.9
[M-H]-	238.09859	157.7
[M+NH4]+	257.13969	169.6
[M+K]+	278.06903	157.9
[M+H-H2O]+	222.10313	143.4
[M+HCOO]-	284.10407	176.4
[M+CH3COO]-	298.11972	165.3
[M+Na-2H]-	260.08054	158.7
[M]+	239.10532	154.0
[M]-	239.10642	154.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.