CID 4369491

9-hydroxy-4-phenylpyrrolo[3,4-c]carbazole-1,3(2h,6h)-dione

Structural Information

Molecular Formula
C20H12N2O3
SMILES
C1=CC=C(C=C1)C2=CC3=C(C4=C(N3)C=CC(=C4)O)C5=C2C(=O)NC5=O
InChI
InChI=1S/C20H12N2O3/c23-11-6-7-14-13(8-11)16-15(21-14)9-12(10-4-2-1-3-5-10)17-18(16)20(25)22-19(17)24/h1-9,21,23H,(H,22,24,25)
InChIKey
IAUZTOZLTFSMIE-UHFFFAOYSA-N
Compound name
9-hydroxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

62
Patents

328.08478 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.09206 174.5
[M+Na]+ 351.07400 186.3
[M-H]- 327.07750 179.7
[M+NH4]+ 346.11860 190.7
[M+K]+ 367.04794 177.8
[M+H-H2O]+ 311.08204 167.6
[M+HCOO]- 373.08298 191.3
[M+CH3COO]- 387.09863 185.6
[M+Na-2H]- 349.05945 176.8
[M]+ 328.08423 174.7
[M]- 328.08533 174.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe