CID 10161381

Azd-9056

Structural Information

Molecular Formula
C24H35ClN2O2
SMILES
C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=C(C=CC(=C4)CCCNCCCO)Cl
InChI
InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)
InChIKey
HSQAARMBHJCUOK-UHFFFAOYSA-N
Compound name
N-(1-adamantylmethyl)-2-chloro-5-[3-(3-hydroxypropylamino)propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

123
Patents

418.2387 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.24598 199.4
[M+Na]+ 441.22792 198.3
[M-H]- 417.23142 194.6
[M+NH4]+ 436.27252 216.1
[M+K]+ 457.20186 191.9
[M+H-H2O]+ 401.23596 192.0
[M+HCOO]- 463.23690 199.8
[M+CH3COO]- 477.25255 203.1
[M+Na-2H]- 439.21337 205.5
[M]+ 418.23815 201.7
[M]- 418.23925 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe