CID 374585

Nsc652558

Structural Information

Molecular Formula
C20H22N2O3
SMILES
CCCCCC(=O)C1=CC2=C(C=C1)NC3=C2C(=C(C=C3C)[N+](=O)[O-])C
InChI
InChI=1S/C20H22N2O3/c1-4-5-6-7-18(23)14-8-9-16-15(11-14)19-13(3)17(22(24)25)10-12(2)20(19)21-16/h8-11,21H,4-7H2,1-3H3
InChIKey
PRXOEVBGDSMKHD-UHFFFAOYSA-N
Compound name
1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)hexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.16306 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.17034 182.2
[M+Na]+ 361.15228 190.2
[M-H]- 337.15578 185.6
[M+NH4]+ 356.19688 197.3
[M+K]+ 377.12622 180.2
[M+H-H2O]+ 321.16032 179.4
[M+HCOO]- 383.16126 202.1
[M+CH3COO]- 397.17691 208.3
[M+Na-2H]- 359.13773 185.5
[M]+ 338.16251 184.8
[M]- 338.16361 184.8
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.