CID 10902951

3-heptyl-2-methyl-9h-carbazole-1,4-dione

Structural Information

Molecular Formula
C20H23NO2
SMILES
CCCCCCCC1=C(C(=O)C2=C(C1=O)C3=CC=CC=C3N2)C
InChI
InChI=1S/C20H23NO2/c1-3-4-5-6-7-10-14-13(2)19(22)18-17(20(14)23)15-11-8-9-12-16(15)21-18/h8-9,11-12,21H,3-7,10H2,1-2H3
InChIKey
IEWHBKUPVFXWDJ-UHFFFAOYSA-N
Compound name
3-heptyl-2-methyl-9H-carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.17288 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 175.4
[M+Na]+ 332.16210 185.3
[M-H]- 308.16560 178.5
[M+NH4]+ 327.20670 193.0
[M+K]+ 348.13604 178.3
[M+H-H2O]+ 292.17014 168.4
[M+HCOO]- 354.17108 194.5
[M+CH3COO]- 368.18673 207.8
[M+Na-2H]- 330.14755 177.2
[M]+ 309.17233 179.5
[M]- 309.17343 179.5
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

No patent data available for this compound.