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
2
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]+ 393.144476 191.6
[M+Na]+ 415.126418 197.9
[M-H]- 391.129924 199.5
[M+NH4]+ 410.171023 203.0
[M+K]+ 431.100358 195.5
[M+H-H2O]+ 375.134460 182.3
[M+HCOO]- 437.135401 213.2
[M+CH3COO]- 451.151051 229.7
[M+Na-2H]- 413.111866 192.7
[M]+ 392.13665142 195.6
[M]- 392.13774858 195.6
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