CID 65720

25683-71-0

Structural Information

Molecular Formula
C14H14N4O4
SMILES
C1C(C(=O)NO1)N=CC2=CC=C(C=C2)C=NC3CONC3=O
InChI
InChI=1S/C14H14N4O4/c19-13-11(7-21-17-13)15-5-9-1-2-10(4-3-9)6-16-12-8-22-18-14(12)20/h1-6,11-12H,7-8H2,(H,17,19)(H,18,20)
InChIKey
ODKYYBOHSVLGNU-UHFFFAOYSA-N
Compound name
4-[[4-[(3-oxo-1,2-oxazolidin-4-yl)iminomethyl]phenyl]methylideneamino]-1,2-oxazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

26
References

1114
Patents

302.1015 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10878 167.4
[M+Na]+ 325.09072 172.8
[M-H]- 301.09422 175.7
[M+NH4]+ 320.13532 179.2
[M+K]+ 341.06466 170.9
[M+H-H2O]+ 285.09876 158.8
[M+HCOO]- 347.09970 188.0
[M+CH3COO]- 361.11535 203.0
[M+Na-2H]- 323.07617 168.9
[M]+ 302.10095 164.6
[M]- 302.10205 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe