CID 393592

Nsc695663

Structural Information

Molecular Formula
C18H14N2O6
SMILES
CCOC(=O)N1C2=CC=CC=C2C3=C1C4=C(C(=C3O)OC)C(=O)NC4=O
InChI
InChI=1S/C18H14N2O6/c1-3-26-18(24)20-9-7-5-4-6-8(9)10-13(20)11-12(15(25-2)14(10)21)17(23)19-16(11)22/h4-7,21H,3H2,1-2H3,(H,19,22,23)
InChIKey
DXBICQVGDKQDDS-UHFFFAOYSA-N
Compound name
ethyl 5-hydroxy-4-methoxy-1,3-dioxopyrrolo[3,4-a]carbazole-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.08517 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.09245 179.2
[M+Na]+ 377.07439 190.9
[M-H]- 353.07789 182.5
[M+NH4]+ 372.11899 195.4
[M+K]+ 393.04833 186.4
[M+H-H2O]+ 337.08243 173.4
[M+HCOO]- 399.08337 196.2
[M+CH3COO]- 413.09902 211.0
[M+Na-2H]- 375.05984 179.8
[M]+ 354.08462 186.0
[M]- 354.08572 186.0
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.