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

12
Patents

486.18445 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.191726 219.9
[M+Na]+ 509.173668 231.8
[M-H]- 485.177174 232.2
[M+NH4]+ 504.218273 227.8
[M+K]+ 525.147608 219.7
[M+H-H2O]+ 469.181710 205.3
[M+HCOO]- 531.182651 237.0
[M+CH3COO]- 545.198301 228.0
[M+Na-2H]- 507.159116 222.8
[M]+ 486.18390142 223.5
[M]- 486.18499858 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