CID 387358

Nsc681111

Structural Information

Molecular Formula
C16H17N3O
SMILES
COC1=CC=CC=C1CNCC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C16H17N3O/c1-20-15-9-5-2-6-12(15)10-17-11-16-18-13-7-3-4-8-14(13)19-16/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKey
PKYQXJSCPUVPKI-UHFFFAOYSA-N
Compound name
N-(1H-benzimidazol-2-ylmethyl)-1-(2-methoxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13718 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.14446 159.7
[M+Na]+ 290.12640 168.3
[M-H]- 266.12990 163.8
[M+NH4]+ 285.17100 175.4
[M+K]+ 306.10034 162.4
[M+H-H2O]+ 250.13444 150.8
[M+HCOO]- 312.13538 182.6
[M+CH3COO]- 326.15103 171.4
[M+Na-2H]- 288.11185 166.9
[M]+ 267.13663 161.2
[M]- 267.13773 161.2
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.