CID 207834

Brn 0499763

Structural Information

Molecular Formula
C21H25N3O4
SMILES
COC1=CC(=CC(=C1)C(=O)NC2CCCN(C2)C(=O)C3=CC=C(C=C3)N)OC
InChI
InChI=1S/C21H25N3O4/c1-27-18-10-15(11-19(12-18)28-2)20(25)23-17-4-3-9-24(13-17)21(26)14-5-7-16(22)8-6-14/h5-8,10-12,17H,3-4,9,13,22H2,1-2H3,(H,23,25)
InChIKey
NOGDNKMMGCDEAE-UHFFFAOYSA-N
Compound name
N-[1-(4-aminobenzoyl)piperidin-3-yl]-3,5-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

383.1845 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.19178 192.6
[M+Na]+ 406.17372 203.0
[M+NH4]+ 401.21832 197.8
[M+K]+ 422.14766 197.5
[M-H]- 382.17722 197.5
[M+Na-2H]- 404.15917 198.7
[M]+ 383.18395 195.0
[M]- 383.18505 195.0
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