CID 261066

1h-benzo[a]carbazole-1,4(11h)-dione, 11-methyl-

Structural Information

Molecular Formula
C17H11NO2
SMILES
CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O
InChI
InChI=1S/C17H11NO2/c1-18-13-5-3-2-4-10(13)11-6-7-12-14(19)8-9-15(20)16(12)17(11)18/h2-9H,1H3
InChIKey
IUPDQKLAXUTBLE-UHFFFAOYSA-N
Compound name
11-methylbenzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

261.07898 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.08626 156.6
[M+Na]+ 284.06820 169.5
[M-H]- 260.07170 163.1
[M+NH4]+ 279.11280 177.6
[M+K]+ 300.04214 163.4
[M+H-H2O]+ 244.07624 149.5
[M+HCOO]- 306.07718 178.0
[M+CH3COO]- 320.09283 170.4
[M+Na-2H]- 282.05365 163.1
[M]+ 261.07843 160.1
[M]- 261.07953 160.1
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