CID 3046154

4-methylanilino-(3-methoxy-(2-methylpiperidino)acetoxy)benzylidene hydrochloride

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CC1CCCCN1CC(=O)OC2=C(C=C(C=C2)C=NC3=CC=C(C=C3)C)OC
InChI
InChI=1S/C23H28N2O3/c1-17-7-10-20(11-8-17)24-15-19-9-12-21(22(14-19)27-3)28-23(26)16-25-13-5-4-6-18(25)2/h7-12,14-15,18H,4-6,13,16H2,1-3H3
InChIKey
NSJZSQVNLVYXMU-UHFFFAOYSA-N
Compound name
[2-methoxy-4-[(4-methylphenyl)iminomethyl]phenyl] 2-(2-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]+ 381.217276 194.4
[M+Na]+ 403.199218 198.5
[M-H]- 379.202724 203.0
[M+NH4]+ 398.243823 204.7
[M+K]+ 419.173158 194.4
[M+H-H2O]+ 363.207260 183.1
[M+HCOO]- 425.208201 213.8
[M+CH3COO]- 439.223851 224.7
[M+Na-2H]- 401.184666 194.0
[M]+ 380.20945142 194.8
[M]- 380.21054858 194.8
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.