CID 3046152

61612-63-3

Structural Information

Molecular Formula
C22H26N2O3
SMILES
CC1=CC=C(C=C1)N=CC2=CC(=C(C=C2)OC(=O)CN3CCCCC3)OC
InChI
InChI=1S/C22H26N2O3/c1-17-6-9-19(10-7-17)23-15-18-8-11-20(21(14-18)26-2)27-22(25)16-24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13,16H2,1-2H3
InChIKey
SBZIZEJMRKSDSP-UHFFFAOYSA-N
Compound name
[2-methoxy-4-[(4-methylphenyl)iminomethyl]phenyl] 2-piperidin-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 189.8
[M+Na]+ 389.18356 193.4
[M-H]- 365.18706 198.1
[M+NH4]+ 384.22816 200.3
[M+K]+ 405.15750 189.5
[M+H-H2O]+ 349.19160 178.5
[M+HCOO]- 411.19254 209.5
[M+CH3COO]- 425.20819 220.5
[M+Na-2H]- 387.16901 190.7
[M]+ 366.19379 189.4
[M]- 366.19489 189.4
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.