CID 136272498

77889-90-8

Structural Information

Molecular Formula
C14H10ClN5O4
SMILES
CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H10ClN5O4/c1-7-9(6-16)13(21)19(2)14(22)12(7)18-17-10-4-3-8(15)5-11(10)20(23)24/h3-5,21H,1-2H3
InChIKey
YONZCVVHUBOHQC-UHFFFAOYSA-N
Compound name
5-[(4-chloro-2-nitrophenyl)diazenyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

347.04214 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.049416 183.3
[M+Na]+ 370.031358 194.4
[M-H]- 346.034864 189.0
[M+NH4]+ 365.075963 193.9
[M+K]+ 386.005298 186.3
[M+H-H2O]+ 330.039400 172.7
[M+HCOO]- 392.040341 202.1
[M+CH3COO]- 406.055991 222.3
[M+Na-2H]- 368.016806 186.7
[M]+ 347.04159142 181.5
[M]- 347.04268858 181.5
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

patents stripe