CID 3046146

4-chloroanilino-(3-methoxy-4-(4-methylpiperidino)acetoxy)benzylidene hydrochloride

Structural Information

Molecular Formula
C22H25ClN2O3
SMILES
CC1CCN(CC1)CC(=O)OC2=C(C=C(C=C2)C=NC3=CC=C(C=C3)Cl)OC
InChI
InChI=1S/C22H25ClN2O3/c1-16-9-11-25(12-10-16)15-22(26)28-20-8-3-17(13-21(20)27-2)14-24-19-6-4-18(23)5-7-19/h3-8,13-14,16H,9-12,15H2,1-2H3
InChIKey
AUFKARFDCNLNJZ-UHFFFAOYSA-N
Compound name
[4-[(4-chlorophenyl)iminomethyl]-2-methoxyphenyl] 2-(4-methylpiperidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.15536 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16264 196.8
[M+Na]+ 423.14458 202.2
[M-H]- 399.14808 205.3
[M+NH4]+ 418.18918 207.2
[M+K]+ 439.11852 196.7
[M+H-H2O]+ 383.15262 186.2
[M+HCOO]- 445.15356 211.9
[M+CH3COO]- 459.16921 225.3
[M+Na-2H]- 421.13003 196.4
[M]+ 400.15481 199.2
[M]- 400.15591 199.2
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.