CID 3054650

71548-80-6

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
CCNC(=O)C(C)(C)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H22ClNO2/c1-4-21-18(22)19(2,3)23-17-11-7-15(8-12-17)13-14-5-9-16(20)10-6-14/h5-12H,4,13H2,1-3H3,(H,21,22)
InChIKey
ANYIRRMSXXPYED-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methyl]phenoxy]-N-ethyl-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1339 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.141176 179.2
[M+Na]+ 354.123118 185.8
[M-H]- 330.126624 185.6
[M+NH4]+ 349.167723 193.7
[M+K]+ 370.097058 180.4
[M+H-H2O]+ 314.131160 172.0
[M+HCOO]- 376.132101 196.4
[M+CH3COO]- 390.147751 211.6
[M+Na-2H]- 352.108566 182.6
[M]+ 331.13335142 183.4
[M]- 331.13444858 183.4
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

No patent data available for this compound.