CID 43442

60752-78-5

Structural Information

Molecular Formula
C21H24N2O2
SMILES
CCC(CC)(C#C)N1CC(C1)OC(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H24N2O2/c1-4-21(5-2,6-3)23-14-17(15-23)25-20(24)22-19-13-9-11-16-10-7-8-12-18(16)19/h1,7-13,17H,5-6,14-15H2,2-3H3,(H,22,24)
InChIKey
BRLVNQRMDAQMPQ-UHFFFAOYSA-N
Compound name
[1-(3-ethylpent-1-yn-3-yl)azetidin-3-yl] N-naphthalen-1-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 183.5
[M+Na]+ 359.17300 189.2
[M-H]- 335.17650 185.9
[M+NH4]+ 354.21760 188.8
[M+K]+ 375.14694 186.9
[M+H-H2O]+ 319.18104 164.2
[M+HCOO]- 381.18198 194.4
[M+CH3COO]- 395.19763 221.0
[M+Na-2H]- 357.15845 185.0
[M]+ 336.18323 185.9
[M]- 336.18433 185.9
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.