CID 208115

N-(1-p-toluoyl-3-piperidyl)-3,4,5-trimethoxybenzamide hydrate

Structural Information

Molecular Formula
C23H28N2O5
SMILES
CC1=CC=C(C=C1)C(=O)N2CCCC(C2)NC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H28N2O5/c1-15-7-9-16(10-8-15)23(27)25-11-5-6-18(14-25)24-22(26)17-12-19(28-2)21(30-4)20(13-17)29-3/h7-10,12-13,18H,5-6,11,14H2,1-4H3,(H,24,26)
InChIKey
AYDFUEJADWILQK-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

412.19983 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.207106 199.5
[M+Na]+ 435.189048 203.3
[M-H]- 411.192554 207.1
[M+NH4]+ 430.233653 207.7
[M+K]+ 451.162988 200.7
[M+H-H2O]+ 395.197090 188.6
[M+HCOO]- 457.198031 216.6
[M+CH3COO]- 471.213681 229.1
[M+Na-2H]- 433.174496 197.3
[M]+ 412.19928142 200.7
[M]- 412.20037858 200.7
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

patents stripe