CID 204727

Cyclohexanecarboxamide, n-(4-(diethylamino)-2-butynyl)-1-phenyl-, monohydrochloride, hydrate

Structural Information

Molecular Formula
C21H30N2O
SMILES
CCN(CC)CC#CCNC(=O)C1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C21H30N2O/c1-3-23(4-2)18-12-11-17-22-20(24)21(15-9-6-10-16-21)19-13-7-5-8-14-19/h5,7-8,13-14H,3-4,6,9-10,15-18H2,1-2H3,(H,22,24)
InChIKey
PKMAJFMYGNRIDP-UHFFFAOYSA-N
Compound name
N-[4-(diethylamino)but-2-ynyl]-1-phenylcyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.2358 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.243076 185.9
[M+Na]+ 349.225018 190.0
[M-H]- 325.228524 189.4
[M+NH4]+ 344.269623 199.3
[M+K]+ 365.198958 183.3
[M+H-H2O]+ 309.233060 171.6
[M+HCOO]- 371.234001 200.0
[M+CH3COO]- 385.249651 219.7
[M+Na-2H]- 347.210466 185.9
[M]+ 326.23525142 177.1
[M]- 326.23634858 177.1
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.