CID 135519085

Dtxsid201335389

Structural Information

Molecular Formula
C15H13N5O5
SMILES
CC1=C(C(=O)N(C(=C1C#N)O)C)N=NC2=C(C=C(C=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C15H13N5O5/c1-8-10(7-16)14(21)19(2)15(22)13(8)18-17-11-5-4-9(25-3)6-12(11)20(23)24/h4-6,21H,1-3H3
InChIKey
SGJCQOFRNUXFIK-UHFFFAOYSA-N
Compound name
2-hydroxy-5-[(4-methoxy-2-nitrophenyl)diazenyl]-1,4-dimethyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

343.09167 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09895 181.3
[M+Na]+ 366.08089 191.2
[M-H]- 342.08439 187.2
[M+NH4]+ 361.12549 191.1
[M+K]+ 382.05483 185.0
[M+H-H2O]+ 326.08893 169.4
[M+HCOO]- 388.08987 204.0
[M+CH3COO]- 402.10552 223.8
[M+Na-2H]- 364.06634 185.3
[M]+ 343.09112 179.0
[M]- 343.09222 179.0
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.