CID 6481894

Schembl9623274

Structural Information

Molecular Formula
C18H17N3O4
SMILES
CN(C)CCN1C(=O)C2=C(C1=O)C3=C(C=C2)NC4=CC(=C(C=C43)O)O
InChI
InChI=1S/C18H17N3O4/c1-20(2)5-6-21-17(24)9-3-4-11-15(16(9)18(21)25)10-7-13(22)14(23)8-12(10)19-11/h3-4,7-8,19,22-23H,5-6H2,1-2H3
InChIKey
UEMMRAOLRQEHMQ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-8,9-dihydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

339.12192 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12920 177.7
[M+Na]+ 362.11114 188.7
[M-H]- 338.11464 180.9
[M+NH4]+ 357.15574 194.4
[M+K]+ 378.08508 183.4
[M+H-H2O]+ 322.11918 171.8
[M+HCOO]- 384.12012 195.3
[M+CH3COO]- 398.13577 188.7
[M+Na-2H]- 360.09659 178.8
[M]+ 339.12137 182.0
[M]- 339.12247 182.0
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.