CID 135400195

32957-03-2

Structural Information

Molecular Formula
C14H14N2O2
SMILES
CC(C)(C#C)N=C1NC(=O)C(O1)C2=CC=CC=C2
InChI
InChI=1S/C14H14N2O2/c1-4-14(2,3)16-13-15-12(17)11(18-13)10-8-6-5-7-9-10/h1,5-9,11H,2-3H3,(H,15,16,17)
InChIKey
YRCKMRPUIXMLIR-UHFFFAOYSA-N
Compound name
2-(2-methylbut-3-yn-2-ylimino)-5-phenyl-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.10553 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 158.5
[M+Na]+ 265.09475 167.7
[M-H]- 241.09825 161.8
[M+NH4]+ 260.13935 172.6
[M+K]+ 281.06869 163.1
[M+H-H2O]+ 225.10279 145.0
[M+HCOO]- 287.10373 173.0
[M+CH3COO]- 301.11938 199.8
[M+Na-2H]- 263.08020 161.2
[M]+ 242.10498 151.3
[M]- 242.10608 151.3
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