CID 110316

Einecs 270-579-4

Structural Information

Molecular Formula
C26H18N4O6S
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=N)C(=CC3=NC4=CC=C(C=C4)NNC5=CC=C(C=C5)O)S(=O)(=O)O
InChI
InChI=1S/C26H18N4O6S/c27-24-21(37(34,35)36)13-20(22-23(24)26(33)19-4-2-1-3-18(19)25(22)32)28-14-5-7-15(8-6-14)29-30-16-9-11-17(31)12-10-16/h1-13,27,29-31H,(H,34,35,36)
InChIKey
PLDNMQTYVUGSDP-UHFFFAOYSA-N
Compound name
4-[4-[2-(4-hydroxyphenyl)hydrazinyl]phenyl]imino-1-imino-9,10-dioxoanthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.0947 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.10198 216.2
[M+Na]+ 537.08392 230.5
[M+NH4]+ 532.12852 220.8
[M+K]+ 553.05786 221.6
[M-H]- 513.08742 223.3
[M+Na-2H]- 535.06937 225.5
[M]+ 514.09415 220.5
[M]- 514.09525 220.5
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.