CID 200005

5460-88-8

Structural Information

Molecular Formula
C18H18N4
SMILES
C1=CC=C2C(=C1)NC(=N2)CCCCC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C18H18N4/c1-2-8-14-13(7-1)19-17(20-14)11-5-6-12-18-21-15-9-3-4-10-16(15)22-18/h1-4,7-10H,5-6,11-12H2,(H,19,20)(H,21,22)
InChIKey
NZFAWSULAKQAPQ-UHFFFAOYSA-N
Compound name
2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

12
Patents

290.15314 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.16042 168.0
[M+Na]+ 313.14236 183.6
[M+NH4]+ 308.18696 176.0
[M+K]+ 329.11630 178.4
[M-H]- 289.14586 170.7
[M+Na-2H]- 311.12781 175.9
[M]+ 290.15259 171.1
[M]- 290.15369 171.1
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