CID 135524751

1-propanone, 2-[(2-amino-3-nitro-4-pyridinyl)amino]-1-(4-hydroxyphenyl)-, oxime, (1z)-

Structural Information

Molecular Formula
C14H15N5O4
SMILES
CC(/C(=N\O)/C1=CC=C(C=C1)O)NC2=C(C(=NC=C2)N)[N+](=O)[O-]
InChI
InChI=1S/C14H15N5O4/c1-8(12(18-21)9-2-4-10(20)5-3-9)17-11-6-7-16-14(15)13(11)19(22)23/h2-8,20-21H,1H3,(H3,15,16,17)/b18-12+
InChIKey
GFBBTMZHHZAKFZ-LDADJPATSA-N
Compound name
4-[(Z)-C-[1-[(2-amino-3-nitropyridin-4-yl)amino]ethyl]-N-hydroxycarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1124 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.11968 166.2
[M+Na]+ 340.10162 170.0
[M-H]- 316.10512 170.2
[M+NH4]+ 335.14622 176.0
[M+K]+ 356.07556 163.0
[M+H-H2O]+ 300.10966 161.5
[M+HCOO]- 362.11060 189.7
[M+CH3COO]- 376.12625 205.7
[M+Na-2H]- 338.08707 171.8
[M]+ 317.11185 161.4
[M]- 317.11295 161.4
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.