CID 43444

60752-79-6

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CCC(CC)(C#C)N1CC(C1)OC(=O)NC2=CC=CC(=C2)C
InChI
InChI=1S/C18H24N2O2/c1-5-18(6-2,7-3)20-12-16(13-20)22-17(21)19-15-10-8-9-14(4)11-15/h1,8-11,16H,6-7,12-13H2,2-4H3,(H,19,21)
InChIKey
CCPDVBJXPIVDLR-UHFFFAOYSA-N
Compound name
[1-(3-ethylpent-1-yn-3-yl)azetidin-3-yl] N-(3-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.18378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 175.0
[M+Na]+ 323.17300 180.9
[M+NH4]+ 318.21760 174.3
[M+K]+ 339.14694 174.0
[M-H]- 299.17650 166.6
[M+Na-2H]- 321.15845 174.5
[M]+ 300.18323 171.5
[M]- 300.18433 171.5
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.