CID 3054650

Sgd 34-78

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]+ 332.14118 179.2
[M+Na]+ 354.12312 185.8
[M-H]- 330.12662 185.6
[M+NH4]+ 349.16772 193.7
[M+K]+ 370.09706 180.4
[M+H-H2O]+ 314.13116 172.0
[M+HCOO]- 376.13210 196.4
[M+CH3COO]- 390.14775 211.6
[M+Na-2H]- 352.10857 182.6
[M]+ 331.13335 183.4
[M]- 331.13445 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.