CID 485670

Schembl8137385

Structural Information

Molecular Formula
C14H14N6O4
SMILES
CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC3=C(C=C2)N4C(=NN=N4)CO3
InChI
InChI=1S/C14H14N6O4/c1-8(21)15-5-10-6-19(14(22)24-10)9-2-3-11-12(4-9)23-7-13-16-17-18-20(11)13/h2-4,10H,5-7H2,1H3,(H,15,21)/t10-/m0/s1
InChIKey
CMCZTBJJQCVFMD-JTQLQIEISA-N
Compound name
N-[[(5S)-2-oxo-3-(4H-tetrazolo[5,1-c][1,4]benzoxazin-7-yl)-1,3-oxazolidin-5-yl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

330.10767 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.11495 174.7
[M+Na]+ 353.09689 183.4
[M-H]- 329.10039 178.6
[M+NH4]+ 348.14149 184.0
[M+K]+ 369.07083 181.7
[M+H-H2O]+ 313.10493 165.2
[M+HCOO]- 375.10587 188.2
[M+CH3COO]- 389.12152 184.4
[M+Na-2H]- 351.08234 176.4
[M]+ 330.10712 176.9
[M]- 330.10822 176.9
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