CID 3046156

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

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CC1CCCN(C1)CC(=O)OC2=C(C=C(C=C2)C=NC3=CC=C(C=C3)C)OC
InChI
InChI=1S/C23H28N2O3/c1-17-6-9-20(10-7-17)24-14-19-8-11-21(22(13-19)27-3)28-23(26)16-25-12-4-5-18(2)15-25/h6-11,13-14,18H,4-5,12,15-16H2,1-3H3
InChIKey
INKUZWSRFRLWOJ-UHFFFAOYSA-N
Compound name
[2-methoxy-4-[(4-methylphenyl)iminomethyl]phenyl] 2-(3-methylpiperidin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.21 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 194.8
[M+Na]+ 403.19922 207.9
[M+NH4]+ 398.24382 201.5
[M+K]+ 419.17316 199.5
[M-H]- 379.20272 200.8
[M+Na-2H]- 401.18467 202.6
[M]+ 380.20945 198.3
[M]- 380.21055 198.3
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.