CID 207766

Benzamide, n-(1-(p-aminobenzoyl)-4-piperidyl)-3,4,5-trimethoxy-

Structural Information

Molecular Formula
C22H27N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCN(CC2)C(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C22H27N3O5/c1-28-18-12-15(13-19(29-2)20(18)30-3)21(26)24-17-8-10-25(11-9-17)22(27)14-4-6-16(23)7-5-14/h4-7,12-13,17H,8-11,23H2,1-3H3,(H,24,26)
InChIKey
LBYGUFLQODPTSQ-UHFFFAOYSA-N
Compound name
N-[1-(4-aminobenzoyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

413.19507 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.20235 199.1
[M+Na]+ 436.18429 202.4
[M-H]- 412.18779 206.4
[M+NH4]+ 431.22889 206.7
[M+K]+ 452.15823 199.9
[M+H-H2O]+ 396.19233 188.1
[M+HCOO]- 458.19327 217.0
[M+CH3COO]- 472.20892 231.1
[M+Na-2H]- 434.16974 197.0
[M]+ 413.19452 198.4
[M]- 413.19562 198.4
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

patents stripe