CID 373631

Nsc650351

Structural Information

Molecular Formula
C18H13NO3
SMILES
CN1C2=C(C3=C1C4=C(C=C3)C(=O)C=CC4=O)C(=CC=C2)OC
InChI
InChI=1S/C18H13NO3/c1-19-12-4-3-5-15(22-2)16(12)11-7-6-10-13(20)8-9-14(21)17(10)18(11)19/h3-9H,1-2H3
InChIKey
VTXNAXJBVPSYNE-UHFFFAOYSA-N
Compound name
7-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]+ 292.096816 164.7
[M+Na]+ 314.078758 177.7
[M-H]- 290.082264 171.3
[M+NH4]+ 309.123363 184.6
[M+K]+ 330.052698 172.1
[M+H-H2O]+ 274.086800 157.5
[M+HCOO]- 336.087741 185.7
[M+CH3COO]- 350.103391 178.2
[M+Na-2H]- 312.064206 170.1
[M]+ 291.08899142 170.3
[M]- 291.09008858 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.