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

2
Patents

253.1215 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12878 157.0
[M+Na]+ 276.11072 172.2
[M+NH4]+ 271.15532 165.6
[M+K]+ 292.08466 166.1
[M-H]- 252.11422 161.5
[M+Na-2H]- 274.09617 166.0
[M]+ 253.12095 160.5
[M]- 253.12205 160.5
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