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

literature stripe

Patent stripe

patents stripe