CID 374506

Nsc652257

Structural Information

Molecular Formula
C18H13NO3
SMILES
CN1C2=C(C=CC(=C2)OC)C3=C1C4=C(C=C3)C(=O)C=CC4=O
InChI
InChI=1S/C18H13NO3/c1-19-14-9-10(22-2)3-4-11(14)12-5-6-13-15(20)7-8-16(21)17(13)18(12)19/h3-9H,1-2H3
InChIKey
SMDCXWRYSGNAAH-UHFFFAOYSA-N
Compound name
9-methoxy-11-methylbenzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.08954 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09682 164.7
[M+Na]+ 314.07876 177.7
[M-H]- 290.08226 171.3
[M+NH4]+ 309.12336 184.6
[M+K]+ 330.05270 172.1
[M+H-H2O]+ 274.08680 157.5
[M+HCOO]- 336.08774 185.7
[M+CH3COO]- 350.10339 178.2
[M+Na-2H]- 312.06421 170.1
[M]+ 291.08899 170.3
[M]- 291.09009 170.3
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.