CID 9802544

5-phenylterbenzimidazole

Structural Information

Molecular Formula
C27H18N6
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC7=C(C=C6)N=CN7
InChI
InChI=1S/C27H18N6/c1-2-4-16(5-3-1)17-6-10-21-24(12-17)32-27(30-21)19-8-11-22-25(14-19)33-26(31-22)18-7-9-20-23(13-18)29-15-28-20/h1-15H,(H,28,29)(H,30,32)(H,31,33)
InChIKey
RTNLSBVUMSGVEI-UHFFFAOYSA-N
Compound name
2-(3H-benzimidazol-5-yl)-6-(6-phenyl-1H-benzimidazol-2-yl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

6
Patents

426.1593 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.16658 194.6
[M+Na]+ 449.14852 207.0
[M-H]- 425.15202 202.5
[M+NH4]+ 444.19312 202.4
[M+K]+ 465.12246 195.0
[M+H-H2O]+ 409.15656 183.8
[M+HCOO]- 471.15750 210.0
[M+CH3COO]- 485.17315 203.3
[M+Na-2H]- 447.13397 196.4
[M]+ 426.15875 196.0
[M]- 426.15985 196.0
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