CID 187754

Mk 1-203 hydrochloride

Structural Information

Molecular Formula
C20H27ClN2O
SMILES
CC1(CC(=C(C(=O)C1)CN2CCCCC2)NC3=CC=CC=C3Cl)C
InChI
InChI=1S/C20H27ClN2O/c1-20(2)12-18(22-17-9-5-4-8-16(17)21)15(19(24)13-20)14-23-10-6-3-7-11-23/h4-5,8-9,22H,3,6-7,10-14H2,1-2H3
InChIKey
CMPKUAOWJPDARO-UHFFFAOYSA-N
Compound name
3-(2-chloroanilino)-5,5-dimethyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

346.18118 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.18846 184.9
[M+Na]+ 369.17040 189.9
[M-H]- 345.17390 191.8
[M+NH4]+ 364.21500 199.0
[M+K]+ 385.14434 183.4
[M+H-H2O]+ 329.17844 175.6
[M+HCOO]- 391.17938 196.8
[M+CH3COO]- 405.19503 214.2
[M+Na-2H]- 367.15585 185.1
[M]+ 346.18063 180.8
[M]- 346.18173 180.8
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