CID 3047467

4-(acetylamino)-5-chloro-2-methoxy-n-(1-(phenylmethyl)-4-piperidinyl)benzamide fumarate

Structural Information

Molecular Formula
C22H26ClN3O3
SMILES
CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)NC2CCN(CC2)CC3=CC=CC=C3)Cl
InChI
InChI=1S/C22H26ClN3O3/c1-15(27)24-20-13-21(29-2)18(12-19(20)23)22(28)25-17-8-10-26(11-9-17)14-16-6-4-3-5-7-16/h3-7,12-13,17H,8-11,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKey
RIJFPRQYEWWNHN-UHFFFAOYSA-N
Compound name
4-acetamido-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

415.16626 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.17354 199.7
[M+Na]+ 438.15548 203.5
[M-H]- 414.15898 206.9
[M+NH4]+ 433.20008 208.5
[M+K]+ 454.12942 198.0
[M+H-H2O]+ 398.16352 189.7
[M+HCOO]- 460.16446 213.5
[M+CH3COO]- 474.18011 229.1
[M+Na-2H]- 436.14093 198.6
[M]+ 415.16571 199.3
[M]- 415.16681 199.3
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