CID 72457

Topsentin

Structural Information

Molecular Formula
C20H14N4O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=CN=C(N3)C(=O)C4=CNC5=C4C=CC(=C5)O
InChI
InChI=1S/C20H14N4O2/c25-11-5-6-13-15(9-22-17(13)7-11)19(26)20-23-10-18(24-20)14-8-21-16-4-2-1-3-12(14)16/h1-10,21-22,25H,(H,23,24)
InChIKey
TVPNFKRGOFJQOO-UHFFFAOYSA-N
Compound name
(6-hydroxy-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

7463
Patents

342.11166 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11894 175.8
[M+Na]+ 365.10088 186.5
[M-H]- 341.10438 180.6
[M+NH4]+ 360.14548 188.5
[M+K]+ 381.07482 178.2
[M+H-H2O]+ 325.10892 168.1
[M+HCOO]- 387.10986 192.7
[M+CH3COO]- 401.12551 185.9
[M+Na-2H]- 363.08633 176.2
[M]+ 342.11111 176.0
[M]- 342.11221 176.0
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.