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 194.4
[M+Na]+ 403.19922 198.5
[M-H]- 379.20272 203.0
[M+NH4]+ 398.24382 204.7
[M+K]+ 419.17316 194.4
[M+H-H2O]+ 363.20726 183.1
[M+HCOO]- 425.20820 213.8
[M+CH3COO]- 439.22385 224.7
[M+Na-2H]- 401.18467 194.0
[M]+ 380.20945 194.8
[M]- 380.21055 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.