CID 16727958

4-methoxy-2-methyl-5h-benzo[b]carbazole-6,11-dione

Structural Information

Molecular Formula
C18H13NO3
SMILES
CC1=CC2=C(C(=C1)OC)NC3=C2C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C18H13NO3/c1-9-7-12-14-16(19-15(12)13(8-9)22-2)18(21)11-6-4-3-5-10(11)17(14)20/h3-8,19H,1-2H3
InChIKey
WYUQZOFYXNPURN-UHFFFAOYSA-N
Compound name
4-methoxy-2-methyl-5H-benzo[b]carbazole-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

291.08954 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09682 164.9
[M+Na]+ 314.07876 177.5
[M-H]- 290.08226 170.1
[M+NH4]+ 309.12336 184.0
[M+K]+ 330.05270 171.1
[M+H-H2O]+ 274.08680 158.0
[M+HCOO]- 336.08774 184.4
[M+CH3COO]- 350.10339 177.7
[M+Na-2H]- 312.06421 169.9
[M]+ 291.08899 168.8
[M]- 291.09009 168.8
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.