CID 387360

Nsc681112

Structural Information

Molecular Formula
C15H15N3O
SMILES
C1=CC=C(C(=C1)CNCC2=NC3=CC=CC=C3N2)O
InChI
InChI=1S/C15H15N3O/c19-14-8-4-1-5-11(14)9-16-10-15-17-12-6-2-3-7-13(12)18-15/h1-8,16,19H,9-10H2,(H,17,18)
InChIKey
GRUCHYFPKIRVKI-UHFFFAOYSA-N
Compound name
2-[(1H-benzimidazol-2-ylmethylamino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1215 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.128776 155.1
[M+Na]+ 276.110718 163.7
[M-H]- 252.114224 158.0
[M+NH4]+ 271.155323 170.6
[M+K]+ 292.084658 157.2
[M+H-H2O]+ 236.118760 146.7
[M+HCOO]- 298.119701 176.8
[M+CH3COO]- 312.135351 166.6
[M+Na-2H]- 274.096166 162.4
[M]+ 253.12095142 154.5
[M]- 253.12204858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.