CID 763580

(1-benzyl-1h-1,3-benzodiazol-2-yl)methanol

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CO
InChI
InChI=1S/C15H14N2O/c18-11-15-16-13-8-4-5-9-14(13)17(15)10-12-6-2-1-3-7-12/h1-9,18H,10-11H2
InChIKey
BMKLUFBUYHXGGH-UHFFFAOYSA-N
Compound name
(1-benzylbenzimidazol-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

238.11061 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 152.6
[M+Na]+ 261.09983 162.6
[M-H]- 237.10333 156.9
[M+NH4]+ 256.14443 169.9
[M+K]+ 277.07377 156.9
[M+H-H2O]+ 221.10787 144.2
[M+HCOO]- 283.10881 174.8
[M+CH3COO]- 297.12446 165.3
[M+Na-2H]- 259.08528 159.5
[M]+ 238.11006 154.4
[M]- 238.11116 154.4
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