CID 135483983

N-[4-(2-chloro-4-nitrophenylazo)-5-hydroxy-1-naphthyl]oxamic acid

Structural Information

Molecular Formula
C18H11ClN4O6
SMILES
C1=CC2=C(C=CC(=C2C(=C1)O)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)NC(=O)C(=O)O
InChI
InChI=1S/C18H11ClN4O6/c19-11-8-9(23(28)29)4-5-13(11)21-22-14-7-6-12(20-17(25)18(26)27)10-2-1-3-15(24)16(10)14/h1-8,24H,(H,20,25)(H,26,27)
InChIKey
AHRCCRPEYSWCAO-UHFFFAOYSA-N
Compound name
2-[[4-[(2-chloro-4-nitrophenyl)diazenyl]-5-hydroxynaphthalen-1-yl]amino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.0367 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.04398 187.9
[M+Na]+ 437.02592 193.5
[M-H]- 413.02942 195.6
[M+NH4]+ 432.07052 197.7
[M+K]+ 452.99986 186.1
[M+H-H2O]+ 397.03396 184.2
[M+HCOO]- 459.03490 209.0
[M+CH3COO]- 473.05055 223.5
[M+Na-2H]- 435.01137 194.4
[M]+ 414.03615 190.2
[M]- 414.03725 190.2
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.