CID 345686

2-(4-methoxyphenyl)-1h-1,3-benzodiazole

Structural Information

Molecular Formula
C14H12N2O
SMILES
COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C14H12N2O/c1-17-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)16-14/h2-9H,1H3,(H,15,16)
InChIKey
PYRWEZBEXFMUHH-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

134
Patents

224.09496 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 148.0
[M+Na]+ 247.08418 158.5
[M-H]- 223.08768 152.5
[M+NH4]+ 242.12878 165.8
[M+K]+ 263.05812 153.0
[M+H-H2O]+ 207.09222 139.8
[M+HCOO]- 269.09316 170.5
[M+CH3COO]- 283.10881 161.1
[M+Na-2H]- 245.06963 155.5
[M]+ 224.09441 149.4
[M]- 224.09551 149.4
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