CID 44577

63639-48-5

Structural Information

Molecular Formula
C24H26ClN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3=CC4=CC=CC=C4C=C3)Cl)N
InChI
InChI=1S/C24H26ClN3O2/c1-30-23-14-22(26)21(25)13-20(23)24(29)27-19-8-10-28(11-9-19)15-16-6-7-17-4-2-3-5-18(17)12-16/h2-7,12-14,19H,8-11,15,26H2,1H3,(H,27,29)
InChIKey
PYNKYOQWRJYWET-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.17136 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.17864 202.9
[M+Na]+ 446.16058 208.0
[M-H]- 422.16408 210.3
[M+NH4]+ 441.20518 212.1
[M+K]+ 462.13452 200.7
[M+H-H2O]+ 406.16862 192.3
[M+HCOO]- 468.16956 215.4
[M+CH3COO]- 482.18521 210.3
[M+Na-2H]- 444.14603 203.1
[M]+ 423.17081 201.3
[M]- 423.17191 201.3
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