CID 174328

83748-28-1

Structural Information

Molecular Formula
C17H16ClN5O4
SMILES
CCCCN1C(=C(C(=C(C1=O)N=NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])C)C#N)O
InChI
InChI=1S/C17H16ClN5O4/c1-3-4-7-22-16(24)12(9-19)10(2)15(17(22)25)21-20-13-6-5-11(18)8-14(13)23(26)27/h5-6,8,24H,3-4,7H2,1-2H3
InChIKey
GCEKBFALPSNSRO-UHFFFAOYSA-N
Compound name
1-butyl-5-[(4-chloro-2-nitrophenyl)diazenyl]-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

389.08908 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.09636 195.2
[M+Na]+ 412.07830 205.2
[M-H]- 388.08180 200.5
[M+NH4]+ 407.12290 204.3
[M+K]+ 428.05224 196.5
[M+H-H2O]+ 372.08634 184.1
[M+HCOO]- 434.08728 213.2
[M+CH3COO]- 448.10293 230.3
[M+Na-2H]- 410.06375 197.4
[M]+ 389.08853 194.4
[M]- 389.08963 194.4
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.