CID 3054644

Brn 1509692

Structural Information

Molecular Formula
C23H28ClNO3
SMILES
CC(C)(C(=O)OC1CCN(CC1)C)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H28ClNO3/c1-23(2,22(26)27-20-12-14-25(3)15-13-20)28-21-10-6-18(7-11-21)16-17-4-8-19(24)9-5-17/h4-11,20H,12-16H2,1-3H3
InChIKey
PKDSOYFHPKTVIU-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.17578 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18306 197.5
[M+Na]+ 424.16500 202.0
[M-H]- 400.16850 204.5
[M+NH4]+ 419.20960 207.4
[M+K]+ 440.13894 196.7
[M+H-H2O]+ 384.17304 187.7
[M+HCOO]- 446.17398 208.0
[M+CH3COO]- 460.18963 221.4
[M+Na-2H]- 422.15045 197.4
[M]+ 401.17523 199.1
[M]- 401.17633 199.1
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.