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

35
Patents

355.1332 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14048 183.3
[M+Na]+ 378.12242 195.4
[M-H]- 354.12592 186.6
[M+NH4]+ 373.16702 200.4
[M+K]+ 394.09636 189.3
[M+H-H2O]+ 338.13046 176.3
[M+HCOO]- 400.13140 200.8
[M+CH3COO]- 414.14705 194.4
[M+Na-2H]- 376.10787 182.5
[M]+ 355.13265 187.6
[M]- 355.13375 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

No patent data available for this compound.