CID 3047459

4-amino-5-chloro-2-methoxy-n-(1-(2-phenylethyl)-4-piperidinyl)benzamide (e)-2-butenedioate

Structural Information

Molecular Formula
C21H26ClN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CCC3=CC=CC=C3)Cl)N
InChI
InChI=1S/C21H26ClN3O2/c1-27-20-14-19(23)18(22)13-17(20)21(26)24-16-8-11-25(12-9-16)10-7-15-5-3-2-4-6-15/h2-6,13-14,16H,7-12,23H2,1H3,(H,24,26)
InChIKey
CRMCRWVHZUVDQG-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.17136 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.17864 194.3
[M+Na]+ 410.16058 198.7
[M-H]- 386.16408 201.0
[M+NH4]+ 405.20518 204.1
[M+K]+ 426.13452 192.2
[M+H-H2O]+ 370.16862 184.3
[M+HCOO]- 432.16956 208.4
[M+CH3COO]- 446.18521 223.9
[M+Na-2H]- 408.14603 193.6
[M]+ 387.17081 192.5
[M]- 387.17191 192.5
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.