CID 24912

Enpromate

Structural Information

Molecular Formula
C22H23NO2
SMILES
C#CC(C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)NC3CCCCC3
InChI
InChI=1S/C22H23NO2/c1-2-22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)25-21(24)23-20-16-10-5-11-17-20/h1,3-4,6-9,12-15,20H,5,10-11,16-17H2,(H,23,24)
InChIKey
NBEALWAVEGMZQY-UHFFFAOYSA-N
Compound name
1,1-diphenylprop-2-ynyl N-cyclohexylcarbamate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

12966
Patents

333.17288 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.180156 188.6
[M+Na]+ 356.162098 193.5
[M-H]- 332.165604 193.3
[M+NH4]+ 351.206703 198.9
[M+K]+ 372.136038 185.2
[M+H-H2O]+ 316.170140 173.6
[M+HCOO]- 378.171081 200.7
[M+CH3COO]- 392.186731 214.5
[M+Na-2H]- 354.147546 189.9
[M]+ 333.17233142 177.6
[M]- 333.17342858 177.6
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

patents stripe