CID 6481885

2-(2-dimethylaminoethyl)-9-hydroxy-5,7-dimethyl-6h-pyrrolo[3,4-c]carbazole-1,3-dione

Structural Information

Molecular Formula
C20H21N3O3
SMILES
CC1=CC(=CC2=C1NC3=C2C4=C(C=C3C)C(=O)N(C4=O)CCN(C)C)O
InChI
InChI=1S/C20H21N3O3/c1-10-7-12(24)9-13-15-16-14(8-11(2)18(15)21-17(10)13)19(25)23(20(16)26)6-5-22(3)4/h7-9,21,24H,5-6H2,1-4H3
InChIKey
ABZNVBFRMALDTO-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-9-hydroxy-5,7-dimethyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.1583 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.16558 185.1
[M+Na]+ 374.14752 196.7
[M-H]- 350.15102 189.6
[M+NH4]+ 369.19212 202.4
[M+K]+ 390.12146 190.9
[M+H-H2O]+ 334.15556 178.9
[M+HCOO]- 396.15650 203.3
[M+CH3COO]- 410.17215 196.3
[M+Na-2H]- 372.13297 184.4
[M]+ 351.15775 190.7
[M]- 351.15885 190.7
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.