CID 3062192

Propanamide, 3-chloro-n-((3-methoxy-2-(1-methylethoxy)phenyl)methyl)-

Structural Information

Molecular Formula
C14H20ClNO3
SMILES
CC(C)OC1=C(C=CC=C1OC)CNC(=O)CCCl
InChI
InChI=1S/C14H20ClNO3/c1-10(2)19-14-11(5-4-6-12(14)18-3)9-16-13(17)7-8-15/h4-6,10H,7-9H2,1-3H3,(H,16,17)
InChIKey
QZZKUPNRBCMRCD-UHFFFAOYSA-N
Compound name
3-chloro-N-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11316 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.120436 165.1
[M+Na]+ 308.102378 171.8
[M-H]- 284.105884 168.5
[M+NH4]+ 303.146983 181.8
[M+K]+ 324.076318 168.7
[M+H-H2O]+ 268.110420 159.2
[M+HCOO]- 330.111361 183.4
[M+CH3COO]- 344.127011 203.5
[M+Na-2H]- 306.087826 166.6
[M]+ 285.11261142 171.2
[M]- 285.11370858 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.