CID 139597720

Dtxsid901028729

Structural Information

Molecular Formula
C18H23NO2
SMILES
CCC(=N)C1C(=O)CC(CC1=O)C2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C18H23NO2/c1-5-14(19)18-15(20)8-13(9-16(18)21)17-11(3)6-10(2)7-12(17)4/h6-7,13,18-19H,5,8-9H2,1-4H3
InChIKey
WRTDEAOXJLDVCI-UHFFFAOYSA-N
Compound name
2-propanimidoyl-5-(2,4,6-trimethylphenyl)cyclohexane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

285.17288 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.18016 166.5
[M+Na]+ 308.16210 173.5
[M-H]- 284.16560 173.4
[M+NH4]+ 303.20670 182.7
[M+K]+ 324.13604 169.4
[M+H-H2O]+ 268.17014 159.6
[M+HCOO]- 330.17108 186.1
[M+CH3COO]- 344.18673 209.9
[M+Na-2H]- 306.14755 164.6
[M]+ 285.17233 164.6
[M]- 285.17343 164.6
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.