CID 3033156

Tai 403

Structural Information

Molecular Formula
C22H32ClNO2
SMILES
CCN(CC)CCOC(=O)C1(CC1)C2=CC(=C(C=C2)C3CCCCC3)Cl
InChI
InChI=1S/C22H32ClNO2/c1-3-24(4-2)14-15-26-21(25)22(12-13-22)18-10-11-19(20(23)16-18)17-8-6-5-7-9-17/h10-11,16-17H,3-9,12-15H2,1-2H3
InChIKey
FOKRNCKMFLDSLS-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-(3-chloro-4-cyclohexylphenyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.21216 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21944 187.5
[M+Na]+ 400.20138 191.9
[M-H]- 376.20488 197.1
[M+NH4]+ 395.24598 197.6
[M+K]+ 416.17532 188.1
[M+H-H2O]+ 360.20942 180.1
[M+HCOO]- 422.21036 202.0
[M+CH3COO]- 436.22601 223.9
[M+Na-2H]- 398.18683 186.9
[M]+ 377.21161 191.6
[M]- 377.21271 191.6
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.