CID 3019193

83487-95-0

Structural Information

Molecular Formula
C22H20N2O5
SMILES
CC1=C(C=C(C=C1)C(=O)OC(C)C)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O
InChI
InChI=1S/C22H20N2O5/c1-12(2)29-22(28)15-9-8-13(3)18(11-15)23-24-19-16-7-5-4-6-14(16)10-17(20(19)25)21(26)27/h4-12,25H,1-3H3,(H,26,27)
InChIKey
PUXFWKDBUFGVKA-UHFFFAOYSA-N
Compound name
3-hydroxy-4-[(2-methyl-5-propan-2-yloxycarbonylphenyl)diazenyl]naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

392.1372 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.14448 192.0
[M+Na]+ 415.12642 204.2
[M+NH4]+ 410.17102 197.4
[M+K]+ 431.10036 198.7
[M-H]- 391.12992 196.0
[M+Na-2H]- 413.11187 197.8
[M]+ 392.13665 194.6
[M]- 392.13775 194.6
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