CID 3060810

78289-28-8

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2CCCO
InChI
InChI=1S/C17H26N2O2/c1-13-7-5-8-14(2)16(13)18-17(21)15-9-3-4-10-19(15)11-6-12-20/h5,7-8,15,20H,3-4,6,9-12H2,1-2H3,(H,18,21)
InChIKey
MXUQZRSLRDEVPR-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-1-(3-hydroxypropyl)piperidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

290.19943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 172.0
[M+Na]+ 313.18865 175.6
[M-H]- 289.19215 174.9
[M+NH4]+ 308.23325 185.1
[M+K]+ 329.16259 171.6
[M+H-H2O]+ 273.19669 163.5
[M+HCOO]- 335.19763 188.8
[M+CH3COO]- 349.21328 204.1
[M+Na-2H]- 311.17410 172.1
[M]+ 290.19888 168.4
[M]- 290.19998 168.4
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

patents stripe