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]+ 352.165576 185.1
[M+Na]+ 374.147518 196.7
[M-H]- 350.151024 189.6
[M+NH4]+ 369.192123 202.4
[M+K]+ 390.121458 190.9
[M+H-H2O]+ 334.155560 178.9
[M+HCOO]- 396.156501 203.3
[M+CH3COO]- 410.172151 196.3
[M+Na-2H]- 372.132966 184.4
[M]+ 351.15775142 190.7
[M]- 351.15884858 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.