CID 361449

Nsc624471

Structural Information

Molecular Formula
C19H23NO4
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C2CC(=O)CCC2=O
InChI
InChI=1S/C19H23NO4/c1-12-5-3-6-13(2)19(12)20-18(24)8-4-7-16(22)15-11-14(21)9-10-17(15)23/h3,5-6,15H,4,7-11H2,1-2H3,(H,20,24)
InChIKey
VHEILBCHMZBBPB-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-5-(2,5-dioxocyclohexyl)-5-oxopentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.16272 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.17000 176.9
[M+Na]+ 352.15194 181.4
[M-H]- 328.15544 182.8
[M+NH4]+ 347.19654 190.3
[M+K]+ 368.12588 178.1
[M+H-H2O]+ 312.15998 169.0
[M+HCOO]- 374.16092 195.8
[M+CH3COO]- 388.17657 214.1
[M+Na-2H]- 350.13739 174.9
[M]+ 329.16217 176.0
[M]- 329.16327 176.0
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.