CID 59460

102517-02-2

Structural Information

Molecular Formula
C17H17N5
SMILES
CN(CC1=NC2=CC=CC=C2N1)CC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C17H17N5/c1-22(10-16-18-12-6-2-3-7-13(12)19-16)11-17-20-14-8-4-5-9-15(14)21-17/h2-9H,10-11H2,1H3,(H,18,19)(H,20,21)
InChIKey
GNHRJMVVTIKDTK-UHFFFAOYSA-N
Compound name
1-(1H-benzimidazol-2-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

291.1484 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.155676 165.1
[M+Na]+ 314.137618 175.2
[M-H]- 290.141124 168.6
[M+NH4]+ 309.182223 179.9
[M+K]+ 330.111558 168.4
[M+H-H2O]+ 274.145660 155.5
[M+HCOO]- 336.146601 185.8
[M+CH3COO]- 350.162251 176.3
[M+Na-2H]- 312.123066 171.3
[M]+ 291.14785142 167.3
[M]- 291.14894858 167.3
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