CID 6481884

Ca-1

Structural Information

Molecular Formula
C19H19N3O3
SMILES
CC1=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C(=O)N(C2=O)CCN(C)C
InChI
InChI=1S/C19H19N3O3/c1-10-8-13-16(19(25)22(18(13)24)7-6-21(2)3)15-12-9-11(23)4-5-14(12)20-17(10)15/h4-5,8-9,20,23H,6-7H2,1-3H3
InChIKey
FEEAXBRLSNHURH-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethyl]-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

1396
Patents

337.14264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 180.0
[M+Na]+ 360.13186 191.2
[M-H]- 336.13536 184.3
[M+NH4]+ 355.17646 197.6
[M+K]+ 376.10580 185.6
[M+H-H2O]+ 320.13990 173.6
[M+HCOO]- 382.14084 198.6
[M+CH3COO]- 396.15649 191.3
[M+Na-2H]- 358.11731 180.5
[M]+ 337.14209 184.8
[M]- 337.14319 184.8
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