CID 3044350

Brn 2991597

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
CC(C)(C(=O)N)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H18ClNO2/c1-17(2,16(19)20)21-15-9-5-13(6-10-15)11-12-3-7-14(18)8-4-12/h3-10H,11H2,1-2H3,(H2,19,20)
InChIKey
FNPGYSRBGMSTRC-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

303.1026 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10988 170.3
[M+Na]+ 326.09182 177.7
[M-H]- 302.09532 176.5
[M+NH4]+ 321.13642 185.6
[M+K]+ 342.06576 172.4
[M+H-H2O]+ 286.09986 163.5
[M+HCOO]- 348.10080 187.5
[M+CH3COO]- 362.11645 205.7
[M+Na-2H]- 324.07727 173.7
[M]+ 303.10205 172.9
[M]- 303.10315 172.9
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