CID 3044755

Benzamide, 4-((chloroacetyl)amino)-2-methoxy-n-(1-(phenylmethyl)-4-piperidinyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H26ClN3O3
SMILES
COC1=C(C=CC(=C1)NC(=O)CCl)C(=O)NC2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C22H26ClN3O3/c1-29-20-13-18(24-21(27)14-23)7-8-19(20)22(28)25-17-9-11-26(12-10-17)15-16-5-3-2-4-6-16/h2-8,13,17H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)
InChIKey
QMVXKLMRNVPROO-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 199.1
[M+Na]+ 438.15548 201.8
[M-H]- 414.15898 205.8
[M+NH4]+ 433.20008 207.4
[M+K]+ 454.12942 196.3
[M+H-H2O]+ 398.16352 188.7
[M+HCOO]- 460.16446 212.9
[M+CH3COO]- 474.18011 227.8
[M+Na-2H]- 436.14093 198.7
[M]+ 415.16571 198.2
[M]- 415.16681 198.2
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

No patent data available for this compound.