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

0
Patents

383.1845 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.191776 191.9
[M+Na]+ 406.173718 195.0
[M-H]- 382.177224 199.0
[M+NH4]+ 401.218323 200.5
[M+K]+ 422.147658 191.8
[M+H-H2O]+ 366.181760 181.1
[M+HCOO]- 428.182701 210.0
[M+CH3COO]- 442.198351 224.5
[M+Na-2H]- 404.159166 190.9
[M]+ 383.18395142 189.0
[M]- 383.18504858 189.0
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