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
3
Annotation Hits

0
References

24
Patents

214.07423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.081506 147.1
[M+Na]+ 237.063448 156.9
[M-H]- 213.066954 150.3
[M+NH4]+ 232.108053 162.1
[M+K]+ 253.037388 152.0
[M+H-H2O]+ 197.071490 133.3
[M+HCOO]- 259.072431 163.7
[M+CH3COO]- 273.088081 194.0
[M+Na-2H]- 235.048896 150.3
[M]+ 214.07368142 139.8
[M]- 214.07477858 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