CID 76068

Sirius yellow gg

Structural Information

Molecular Formula
C27H20N6O7
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O)N=NC4=CC(=C(C=C4)O)C(=O)O
InChI
InChI=1S/C27H20N6O7/c34-23-11-9-19(13-21(23)25(36)37)32-30-17-5-1-15(2-6-17)28-27(40)29-16-3-7-18(8-4-16)31-33-20-10-12-24(35)22(14-20)26(38)39/h1-14,34-35H,(H,36,37)(H,38,39)(H2,28,29,40)
InChIKey
RGFYLWOAVUGTJI-UHFFFAOYSA-N
Compound name
5-[[4-[[4-[(3-carboxy-4-hydroxyphenyl)diazenyl]phenyl]carbamoylamino]phenyl]diazenyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

607
Patents

540.13934 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.14662 226.7
[M+Na]+ 563.12856 235.6
[M+NH4]+ 558.17316 228.3
[M+K]+ 579.10250 231.4
[M-H]- 539.13206 234.4
[M+Na-2H]- 561.11401 234.8
[M]+ 540.13879 229.3
[M]- 540.13989 229.3
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