CID 135400197

5-phenyl-2-(2-propynylamino)-2-oxazolin-4-one

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C#CCN=C1NC(=O)C(O1)C2=CC=CC=C2
InChI
InChI=1S/C12H10N2O2/c1-2-8-13-12-14-11(15)10(16-12)9-6-4-3-5-7-9/h1,3-7,10H,8H2,(H,13,14,15)
InChIKey
WWTYGEPOGPVBJS-UHFFFAOYSA-N
Compound name
5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

214.07423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 147.1
[M+Na]+ 237.06345 156.9
[M-H]- 213.06695 150.3
[M+NH4]+ 232.10805 162.1
[M+K]+ 253.03739 152.0
[M+H-H2O]+ 197.07149 133.3
[M+HCOO]- 259.07243 163.7
[M+CH3COO]- 273.08808 194.0
[M+Na-2H]- 235.04890 150.3
[M]+ 214.07368 139.8
[M]- 214.07478 139.8
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

patents stripe