CID 10364585

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

Structural Information

Molecular Formula
C24H20N2O5
SMILES
COC1=CC=CC=C1C2=CC3=C(C4=C(N3CCCO)C=CC(=C4)O)C5=C2C(=O)NC5=O
InChI
InChI=1S/C24H20N2O5/c1-31-19-6-3-2-5-14(19)15-12-18-20(22-21(15)23(29)25-24(22)30)16-11-13(28)7-8-17(16)26(18)9-4-10-27/h2-3,5-8,11-12,27-28H,4,9-10H2,1H3,(H,25,29,30)
InChIKey
AOGOZJCRIFBTTN-UHFFFAOYSA-N
Compound name
9-hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

416.1372 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.14448 199.1
[M+Na]+ 439.12642 209.7
[M-H]- 415.12992 204.1
[M+NH4]+ 434.17102 211.8
[M+K]+ 455.10036 202.4
[M+H-H2O]+ 399.13446 191.6
[M+HCOO]- 461.13540 214.3
[M+CH3COO]- 475.15105 208.4
[M+Na-2H]- 437.11187 198.3
[M]+ 416.13665 203.9
[M]- 416.13775 203.9
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