CID 135538376

28058-39-1

Structural Information

Molecular Formula
C14H14N4O4
SMILES
CCOC1=C(C=CC(=C1)/C=N\NC2=NC=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C14H14N4O4/c1-2-22-13-7-10(3-5-12(13)19)8-16-17-14-6-4-11(9-15-14)18(20)21/h3-9,19H,2H2,1H3,(H,15,17)/b16-8-
InChIKey
GTXRHJCARPJGTL-PXNMLYILSA-N
Compound name
2-ethoxy-4-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1015 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10878 164.7
[M+Na]+ 325.09072 170.4
[M-H]- 301.09422 170.4
[M+NH4]+ 320.13532 176.6
[M+K]+ 341.06466 163.2
[M+H-H2O]+ 285.09876 159.7
[M+HCOO]- 347.09970 191.2
[M+CH3COO]- 361.11535 202.0
[M+Na-2H]- 323.07617 173.2
[M]+ 302.10095 164.5
[M]- 302.10205 164.5
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.