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

literature stripe

Patent stripe

patents stripe