CID 135473062

Nsc682570

Structural Information

Molecular Formula
C16H10N2O5
SMILES
C1=CC=C2C(=C1)N=C(C(=O)O2)/C=C(/C3=CC=C(C=C3)[N+](=O)[O-])\O
InChI
InChI=1S/C16H10N2O5/c19-14(10-5-7-11(8-6-10)18(21)22)9-13-16(20)23-15-4-2-1-3-12(15)17-13/h1-9,19H/b14-9-
InChIKey
MTCMNOVWMJSGKP-ZROIWOOFSA-N
Compound name
3-[(Z)-2-hydroxy-2-(4-nitrophenyl)ethenyl]-1,4-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.05896 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.06624 166.3
[M+Na]+ 333.04818 173.6
[M-H]- 309.05168 172.4
[M+NH4]+ 328.09278 177.2
[M+K]+ 349.02212 166.2
[M+H-H2O]+ 293.05622 161.8
[M+HCOO]- 355.05716 186.8
[M+CH3COO]- 369.07281 195.9
[M+Na-2H]- 331.03363 175.1
[M]+ 310.05841 166.0
[M]- 310.05951 166.0
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

No patent data available for this compound.