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]+ 348.04942 183.3
[M+Na]+ 370.03136 194.4
[M-H]- 346.03486 189.0
[M+NH4]+ 365.07596 193.9
[M+K]+ 386.00530 186.3
[M+H-H2O]+ 330.03940 172.7
[M+HCOO]- 392.04034 202.1
[M+CH3COO]- 406.05599 222.3
[M+Na-2H]- 368.01681 186.7
[M]+ 347.04159 181.5
[M]- 347.04269 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