CID 496456

Nsc689616

Structural Information

Molecular Formula
C15H18N2O
SMILES
CCN(CC)C1C(NC1=O)C#CC2=CC=CC=C2
InChI
InChI=1S/C15H18N2O/c1-3-17(4-2)14-13(16-15(14)18)11-10-12-8-6-5-7-9-12/h5-9,13-14H,3-4H2,1-2H3,(H,16,18)
InChIKey
CNJGEBDMMZACBG-UHFFFAOYSA-N
Compound name
3-(diethylamino)-4-(2-phenylethynyl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 154.5
[M+Na]+ 265.13112 161.1
[M-H]- 241.13462 157.1
[M+NH4]+ 260.17572 162.7
[M+K]+ 281.10506 160.5
[M+H-H2O]+ 225.13916 136.1
[M+HCOO]- 287.14010 168.9
[M+CH3COO]- 301.15575 205.4
[M+Na-2H]- 263.11657 156.1
[M]+ 242.14135 155.8
[M]- 242.14245 155.8
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.