CID 135850425

Einecs 276-846-1

Structural Information

Molecular Formula
C16H14N4O5
SMILES
C/C(=C(\C(=O)NC1=CC=CC=C1)/N=NC2=C(C=CC(=C2)[N+](=O)[O-])O)/O
InChI
InChI=1S/C16H14N4O5/c1-10(21)15(16(23)17-11-5-3-2-4-6-11)19-18-13-9-12(20(24)25)7-8-14(13)22/h2-9,21-22H,1H3,(H,17,23)/b15-10-,19-18?
InChIKey
LZTBNZUSSPCTKB-LGBYSEEUSA-N
Compound name
(Z)-3-hydroxy-2-[(2-hydroxy-5-nitrophenyl)diazenyl]-N-phenylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

342.0964 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.103676 173.4
[M+Na]+ 365.085618 176.0
[M-H]- 341.089124 179.8
[M+NH4]+ 360.130223 183.9
[M+K]+ 381.059558 170.1
[M+H-H2O]+ 325.093660 168.7
[M+HCOO]- 387.094601 199.1
[M+CH3COO]- 401.110251 210.6
[M+Na-2H]- 363.071066 178.5
[M]+ 342.09585142 170.3
[M]- 342.09694858 170.3
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