CID 3056025

Brn 0733659

Structural Information

Molecular Formula
C32H30N6
SMILES
C1CN(CCN1CN2C3=CC=CC=C3N=C2C4=CC=CC=C4)CN5C6=CC=CC=C6N=C5C7=CC=CC=C7
InChI
InChI=1S/C32H30N6/c1-3-11-25(12-4-1)31-33-27-15-7-9-17-29(27)37(31)23-35-19-21-36(22-20-35)24-38-30-18-10-8-16-28(30)34-32(38)26-13-5-2-6-14-26/h1-18H,19-24H2
InChIKey
WJDHXJMCPBBIIA-UHFFFAOYSA-N
Compound name
2-phenyl-1-[[4-[(2-phenylbenzimidazol-1-yl)methyl]piperazin-1-yl]methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.2532 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.26048 221.6
[M+Na]+ 521.24242 228.9
[M-H]- 497.24592 231.0
[M+NH4]+ 516.28702 224.0
[M+K]+ 537.21636 217.2
[M+H-H2O]+ 481.25046 205.2
[M+HCOO]- 543.25140 233.6
[M+CH3COO]- 557.26705 227.0
[M+Na-2H]- 519.22787 219.9
[M]+ 498.25265 220.1
[M]- 498.25375 220.1
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.