CID 459979

3,6-bis[6-(4,5-dihydro-1h-imidazol-2-yl)-1h-benzimidazol-2-yl]-9h-carbazole

Structural Information

Molecular Formula
C32H25N9
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)NC6=C5C=C(C=C6)C7=NC8=C(N7)C=C(C=C8)C9=NCCN9
InChI
InChI=1S/C32H25N9/c1-5-23-21(13-17(1)31-38-25-7-3-19(15-27(25)40-31)29-33-9-10-34-29)22-14-18(2-6-24(22)37-23)32-39-26-8-4-20(16-28(26)41-32)30-35-11-12-36-30/h1-8,13-16,37H,9-12H2,(H,33,34)(H,35,36)(H,38,40)(H,39,41)
InChIKey
AOFXKOIKUFJNGS-UHFFFAOYSA-N
Compound name
3,6-bis[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

535.22327 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.23055 197.5
[M+Na]+ 558.21249 207.1
[M-H]- 534.21599 206.8
[M+NH4]+ 553.25709 200.9
[M+K]+ 574.18643 196.4
[M+H-H2O]+ 518.22053 188.8
[M+HCOO]- 580.22147 205.7
[M+CH3COO]- 594.23712 203.6
[M+Na-2H]- 556.19794 190.5
[M]+ 535.22272 197.0
[M]- 535.22382 197.0
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.