CID 209785

20381-03-7

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC1=CC(=C(C=C1)C(=O)CCC(=O)NCCCO)C
InChI
InChI=1S/C15H21NO3/c1-11-4-5-13(12(2)10-11)14(18)6-7-15(19)16-8-3-9-17/h4-5,10,17H,3,6-9H2,1-2H3,(H,16,19)
InChIKey
HOCXBMREALVPID-UHFFFAOYSA-N
Compound name
4-(2,4-dimethylphenyl)-N-(3-hydroxypropyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

263.15213 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 163.0
[M+Na]+ 286.141348 168.4
[M-H]- 262.144854 164.9
[M+NH4]+ 281.185953 178.9
[M+K]+ 302.115288 165.5
[M+H-H2O]+ 246.149390 156.3
[M+HCOO]- 308.150331 184.2
[M+CH3COO]- 322.165981 199.6
[M+Na-2H]- 284.126796 163.9
[M]+ 263.15158142 164.8
[M]- 263.15267858 164.8
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

patents stripe