CID 43148862

1-(3-methoxyphenyl)-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C14H13N3O
SMILES
COC1=CC=CC(=C1)N2C3=CC=CC=C3N=C2N
InChI
InChI=1S/C14H13N3O/c1-18-11-6-4-5-10(9-11)17-13-8-3-2-7-12(13)16-14(17)15/h2-9H,1H3,(H2,15,16)
InChIKey
BFDOUMCQHZVFDI-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.10587 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.113146 151.9
[M+Na]+ 262.095088 162.9
[M-H]- 238.098594 157.7
[M+NH4]+ 257.139693 169.6
[M+K]+ 278.069028 157.9
[M+H-H2O]+ 222.103130 143.4
[M+HCOO]- 284.104071 176.4
[M+CH3COO]- 298.119721 165.3
[M+Na-2H]- 260.080536 158.7
[M]+ 239.10532142 154.0
[M]- 239.10641858 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.