CID 378582

Nsc661222

Structural Information

Molecular Formula
C19H15NO2
SMILES
CCCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O
InChI
InChI=1S/C19H15NO2/c1-2-11-20-15-6-4-3-5-12(15)13-7-8-14-16(21)9-10-17(22)18(14)19(13)20/h3-10H,2,11H2,1H3
InChIKey
UJDZXYIUJYYTJX-UHFFFAOYSA-N
Compound name
11-propylbenzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1103 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.11758 166.3
[M+Na]+ 312.09952 178.2
[M-H]- 288.10302 172.2
[M+NH4]+ 307.14412 186.0
[M+K]+ 328.07346 171.6
[M+H-H2O]+ 272.10756 158.7
[M+HCOO]- 334.10850 186.8
[M+CH3COO]- 348.12415 179.1
[M+Na-2H]- 310.08497 171.6
[M]+ 289.10975 170.3
[M]- 289.11085 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.