CID 2850323

5530-99-4

Structural Information

Molecular Formula
C24H34ClNO
SMILES
CC(C)CC1=CC=C(C=C1)C(C)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl
InChI
InChI=1S/C24H34ClNO/c1-16(2)8-18-4-6-21(7-5-18)17(3)14-26-22(27)23-10-19-9-20(11-23)13-24(25,12-19)15-23/h4-7,16-17,19-20H,8-15H2,1-3H3,(H,26,27)
InChIKey
HGZUHWKYYYSULF-UHFFFAOYSA-N
Compound name
3-chloro-N-[2-[4-(2-methylpropyl)phenyl]propyl]adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.23288 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.24016 198.4
[M+Na]+ 410.22210 198.2
[M-H]- 386.22560 195.1
[M+NH4]+ 405.26670 218.8
[M+K]+ 426.19604 192.2
[M+H-H2O]+ 370.23014 190.4
[M+HCOO]- 432.23108 196.9
[M+CH3COO]- 446.24673 202.9
[M+Na-2H]- 408.20755 202.3
[M]+ 387.23233 199.9
[M]- 387.23343 199.9
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.