CID 132348963

2138199-74-1

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C1COCC2=C(N=C(N21)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C13H12N2O3/c16-13(17)11-10-8-18-7-6-15(10)12(14-11)9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17)
InChIKey
SMOMONDAXIUQRC-UHFFFAOYSA-N
Compound name
3-phenyl-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 152.2
[M+Na]+ 267.07402 159.9
[M-H]- 243.07752 156.5
[M+NH4]+ 262.11862 167.3
[M+K]+ 283.04796 157.4
[M+H-H2O]+ 227.08206 144.2
[M+HCOO]- 289.08300 169.4
[M+CH3COO]- 303.09865 163.9
[M+Na-2H]- 265.05947 156.7
[M]+ 244.08425 151.2
[M]- 244.08535 151.2
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.