CID 15034542

1-[(3-methoxyphenyl)methyl]-1h-1,3-benzodiazol-2-amine

Structural Information

Molecular Formula
C15H15N3O
SMILES
COC1=CC=CC(=C1)CN2C3=CC=CC=C3N=C2N
InChI
InChI=1S/C15H15N3O/c1-19-12-6-4-5-11(9-12)10-18-14-8-3-2-7-13(14)17-15(18)16/h2-9H,10H2,1H3,(H2,16,17)
InChIKey
UGVHOGLCIXPIOP-UHFFFAOYSA-N
Compound name
1-[(3-methoxyphenyl)methyl]benzimidazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.1215 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.128776 156.5
[M+Na]+ 276.110718 167.0
[M-H]- 252.114224 162.1
[M+NH4]+ 271.155323 173.6
[M+K]+ 292.084658 161.8
[M+H-H2O]+ 236.118760 147.8
[M+HCOO]- 298.119701 180.6
[M+CH3COO]- 312.135351 169.4
[M+Na-2H]- 274.096166 162.8
[M]+ 253.12095142 158.9
[M]- 253.12204858 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe