CID 6481891

Schembl29386423

Structural Information

Molecular Formula
C19H18FN3O3
SMILES
CC1=CC2=C(C3=C1NC4=CC(=C(C=C43)O)F)C(=O)N(C2=O)CCN(C)C
InChI
InChI=1S/C19H18FN3O3/c1-9-6-11-16(19(26)23(18(11)25)5-4-22(2)3)15-10-7-14(24)12(20)8-13(10)21-17(9)15/h6-8,21,24H,4-5H2,1-3H3
InChIKey
FXPJZCACPHKHHT-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-8-fluoro-9-hydroxy-5-methyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

355.1332 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.140476 183.3
[M+Na]+ 378.122418 195.4
[M-H]- 354.125924 186.6
[M+NH4]+ 373.167023 200.4
[M+K]+ 394.096358 189.3
[M+H-H2O]+ 338.130460 176.3
[M+HCOO]- 400.131401 200.8
[M+CH3COO]- 414.147051 194.4
[M+Na-2H]- 376.107866 182.5
[M]+ 355.13265142 187.6
[M]- 355.13374858 187.6
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

patents stripe