CID 64448

64047-36-5

Structural Information

Molecular Formula
C22H30ClNO
SMILES
CC(CC12CC3CC(C1)CC(C3)C2)N(C)CC(=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H30ClNO/c1-15(24(2)14-21(25)19-3-5-20(23)6-4-19)10-22-11-16-7-17(12-22)9-18(8-16)13-22/h3-6,15-18H,7-14H2,1-2H3
InChIKey
YOAIIGWOMSYCJB-UHFFFAOYSA-N
Compound name
2-[1-(1-adamantyl)propan-2-yl-methylamino]-1-(4-chlorophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.2016 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.20888 188.7
[M+Na]+ 382.19082 188.2
[M-H]- 358.19432 186.7
[M+NH4]+ 377.23542 208.8
[M+K]+ 398.16476 183.4
[M+H-H2O]+ 342.19886 180.7
[M+HCOO]- 404.19980 189.4
[M+CH3COO]- 418.21545 194.2
[M+Na-2H]- 380.17627 193.1
[M]+ 359.20105 190.9
[M]- 359.20215 190.9
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.