CID 102107926

1469997-91-8

Structural Information

Molecular Formula
C34H22N4
SMILES
C1=CC=C2C(=C1)C3=C(N2C4=CC=CC(=C4)C5=CC(=CC=C5)N6C7=CC=CC=C7C8=C6N=CC=C8)N=CC=C3
InChI
InChI=1S/C34H22N4/c1-3-17-31-27(13-1)29-15-7-19-35-33(29)37(31)25-11-5-9-23(21-25)24-10-6-12-26(22-24)38-32-18-4-2-14-28(32)30-16-8-20-36-34(30)38/h1-22H
InChIKey
WDYNTQPSXSXBSX-UHFFFAOYSA-N
Compound name
9-[3-(3-pyrido[2,3-b]indol-9-ylphenyl)phenyl]pyrido[2,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

486.18445 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.19173 219.9
[M+Na]+ 509.17367 231.8
[M-H]- 485.17717 232.2
[M+NH4]+ 504.21827 227.8
[M+K]+ 525.14761 219.7
[M+H-H2O]+ 469.18171 205.3
[M+HCOO]- 531.18265 237.0
[M+CH3COO]- 545.19830 228.0
[M+Na-2H]- 507.15912 222.8
[M]+ 486.18390 223.5
[M]- 486.18500 223.5
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

patents stripe