CID 373632

Nsc650352

Structural Information

Molecular Formula
C20H17NO2
SMILES
CCCCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O
InChI
InChI=1S/C20H17NO2/c1-2-3-12-21-16-7-5-4-6-13(16)14-8-9-15-17(22)10-11-18(23)19(15)20(14)21/h4-11H,2-3,12H2,1H3
InChIKey
UXCKUUWPUKMVIS-UHFFFAOYSA-N
Compound name
11-butylbenzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.12592 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.13320 171.1
[M+Na]+ 326.11514 182.5
[M-H]- 302.11864 176.8
[M+NH4]+ 321.15974 190.2
[M+K]+ 342.08908 175.6
[M+H-H2O]+ 286.12318 163.2
[M+HCOO]- 348.12412 191.2
[M+CH3COO]- 362.13977 183.4
[M+Na-2H]- 324.10059 175.8
[M]+ 303.12537 175.4
[M]- 303.12647 175.4
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.