CID 369539

Nsc641396

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
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

literature stripe

Patent stripe

patents stripe