CID 3054648

Brn 3002070

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
CCCC(C)(C(=O)N)OC1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C19H22ClNO2/c1-3-12-19(2,18(21)22)23-17-10-6-15(7-11-17)13-14-4-8-16(20)9-5-14/h4-11H,3,12-13H2,1-2H3,(H2,21,22)
InChIKey
XHZCOYLYDGDGSB-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1339 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.141176 179.6
[M+Na]+ 354.123118 186.1
[M-H]- 330.126624 185.4
[M+NH4]+ 349.167723 193.7
[M+K]+ 370.097058 180.4
[M+H-H2O]+ 314.131160 172.4
[M+HCOO]- 376.132101 196.1
[M+CH3COO]- 390.147751 211.7
[M+Na-2H]- 352.108566 181.9
[M]+ 331.13335142 182.8
[M]- 331.13444858 182.8
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.