CID 801094

1-benzyl-1h-1,3-benzodiazole-2-carbaldehyde

Structural Information

Molecular Formula
C15H12N2O
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2C=O
InChI
InChI=1S/C15H12N2O/c18-11-15-16-13-8-4-5-9-14(13)17(15)10-12-6-2-1-3-7-12/h1-9,11H,10H2
InChIKey
FLSACHQTKKDWED-UHFFFAOYSA-N
Compound name
1-benzylbenzimidazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

236.09496 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.10224 151.6
[M+Na]+ 259.08418 162.3
[M-H]- 235.08768 157.3
[M+NH4]+ 254.12878 169.5
[M+K]+ 275.05812 156.9
[M+H-H2O]+ 219.09222 142.9
[M+HCOO]- 281.09316 175.4
[M+CH3COO]- 295.10881 165.0
[M+Na-2H]- 257.06963 158.9
[M]+ 236.09441 154.5
[M]- 236.09551 154.5
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

patents stripe