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
1
Annotation Hits

0
References

13798
Patents

333.17288 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.18016 188.6
[M+Na]+ 356.16210 193.5
[M-H]- 332.16560 193.3
[M+NH4]+ 351.20670 198.9
[M+K]+ 372.13604 185.2
[M+H-H2O]+ 316.17014 173.6
[M+HCOO]- 378.17108 200.7
[M+CH3COO]- 392.18673 214.5
[M+Na-2H]- 354.14755 189.9
[M]+ 333.17233 177.6
[M]- 333.17343 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