CID 135542458

1-ethyl-1,2-dihydro-6-hydroxy-5-[2-(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-2-oxo-3-pyridinecarbonitrile

Structural Information

Molecular Formula
C16H15N5O5
SMILES
CCN1C(=C(C(=C(C1=O)N=NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C)C#N)O
InChI
InChI=1S/C16H15N5O5/c1-4-20-15(22)11(8-17)9(2)14(16(20)23)19-18-12-6-5-10(26-3)7-13(12)21(24)25/h5-7,22H,4H2,1-3H3
InChIKey
MLKMKTZINUCOBR-UHFFFAOYSA-N
Compound name
1-ethyl-2-hydroxy-5-[(4-methoxy-2-nitrophenyl)diazenyl]-4-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

357.10733 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.11461 185.3
[M+Na]+ 380.09655 194.8
[M-H]- 356.10005 191.0
[M+NH4]+ 375.14115 194.6
[M+K]+ 396.07049 188.3
[M+H-H2O]+ 340.10459 173.2
[M+HCOO]- 402.10553 207.7
[M+CH3COO]- 416.12118 226.5
[M+Na-2H]- 378.08200 188.8
[M]+ 357.10678 183.3
[M]- 357.10788 183.3
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