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 191.9
[M+Na]+ 406.17372 195.0
[M-H]- 382.17722 199.0
[M+NH4]+ 401.21832 200.5
[M+K]+ 422.14766 191.8
[M+H-H2O]+ 366.18176 181.1
[M+HCOO]- 428.18270 210.0
[M+CH3COO]- 442.19835 224.5
[M+Na-2H]- 404.15917 190.9
[M]+ 383.18395 189.0
[M]- 383.18505 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