CID 3046140

4-chloroanilino-(3-methoxy-4-piperidinoacetoxy)benzylidene hydrochloride

Structural Information

Molecular Formula
C21H23ClN2O3
SMILES
COC1=C(C=CC(=C1)C=NC2=CC=C(C=C2)Cl)OC(=O)CN3CCCCC3
InChI
InChI=1S/C21H23ClN2O3/c1-26-20-13-16(14-23-18-8-6-17(22)7-9-18)5-10-19(20)27-21(25)15-24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12,15H2,1H3
InChIKey
CBASZGJLHNWHCE-UHFFFAOYSA-N
Compound name
[4-[(4-chlorophenyl)iminomethyl]-2-methoxyphenyl] 2-piperidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1397 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14698 192.1
[M+Na]+ 409.12892 197.0
[M-H]- 385.13242 200.4
[M+NH4]+ 404.17352 202.8
[M+K]+ 425.10286 191.7
[M+H-H2O]+ 369.13696 181.5
[M+HCOO]- 431.13790 207.6
[M+CH3COO]- 445.15355 221.1
[M+Na-2H]- 407.11437 193.0
[M]+ 386.13915 193.8
[M]- 386.14025 193.8
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.