CID 378586

Nsc661226

Structural Information

Molecular Formula
C21H15NO6
SMILES
CN1C2=CC=CC=C2C3=C(C(=C4C(=O)C=CC(=O)C4=C31)C(=O)OC)C(=O)OC
InChI
InChI=1S/C21H15NO6/c1-22-11-7-5-4-6-10(11)14-17(20(25)27-2)18(21(26)28-3)15-12(23)8-9-13(24)16(15)19(14)22/h4-9H,1-3H3
InChIKey
XNNCTFKEVJTDGD-UHFFFAOYSA-N
Compound name
dimethyl 11-methyl-1,4-dioxobenzo[a]carbazole-5,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.08994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.09722 184.3
[M+Na]+ 400.07916 195.7
[M-H]- 376.08266 190.7
[M+NH4]+ 395.12376 200.1
[M+K]+ 416.05310 192.1
[M+H-H2O]+ 360.08720 176.9
[M+HCOO]- 422.08814 202.8
[M+CH3COO]- 436.10379 221.7
[M+Na-2H]- 398.06461 185.9
[M]+ 377.08939 192.8
[M]- 377.09049 192.8
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

No patent data available for this compound.