CID 3042317

59512-32-2

Structural Information

Molecular Formula
C16H22N2OS
SMILES
CC(C)CC1=CC=C(C=C1)C(C)C(=O)NC2=NCCS2
InChI
InChI=1S/C16H22N2OS/c1-11(2)10-13-4-6-14(7-5-13)12(3)15(19)18-16-17-8-9-20-16/h4-7,11-12H,8-10H2,1-3H3,(H,17,18,19)
InChIKey
IWVKESZPDAZWSN-UHFFFAOYSA-N
Compound name
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-[4-(2-methylpropyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1453 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.15258 170.6
[M+Na]+ 313.13452 175.3
[M-H]- 289.13802 175.7
[M+NH4]+ 308.17912 186.8
[M+K]+ 329.10846 171.8
[M+H-H2O]+ 273.14256 162.9
[M+HCOO]- 335.14350 185.7
[M+CH3COO]- 349.15915 202.9
[M+Na-2H]- 311.11997 167.7
[M]+ 290.14475 171.2
[M]- 290.14585 171.2
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.