CID 80753

Cuprate(2-), bis(3-(hydroxy-kappao)-4-(2-phenyldiazenyl)-2-naphthalenecarboxylato(2-)-kappao)-, hydrogen (1:2)

Structural Information

Molecular Formula
C17H12N2O3
SMILES
C1=CC=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O
InChI
InChI=1S/C17H12N2O3/c20-16-14(17(21)22)10-11-6-4-5-9-13(11)15(16)19-18-12-7-2-1-3-8-12/h1-10,20H,(H,21,22)
InChIKey
DYMRMULFWJUGDJ-UHFFFAOYSA-N
Compound name
3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

3247
Patents

292.08478 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.09206 163.3
[M+Na]+ 315.07400 171.0
[M-H]- 291.07750 171.4
[M+NH4]+ 310.11860 178.9
[M+K]+ 331.04794 167.1
[M+H-H2O]+ 275.08204 154.8
[M+HCOO]- 337.08298 188.4
[M+CH3COO]- 351.09863 207.2
[M+Na-2H]- 313.05945 170.7
[M]+ 292.08423 164.1
[M]- 292.08533 164.1
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