CID 72694

6330-82-1

Structural Information

Molecular Formula
C24H20N4O7S2
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)N)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C24H20N4O7S2/c1-14-10-18(26-24(29)15-2-5-17(25)6-3-15)8-9-22(14)28-27-19-7-4-16-11-20(36(30,31)32)13-23(21(16)12-19)37(33,34)35/h2-13H,25H2,1H3,(H,26,29)(H,30,31,32)(H,33,34,35)
InChIKey
QFODNPVMQLYJIE-UHFFFAOYSA-N
Compound name
7-[[4-[(4-aminobenzoyl)amino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

540.07733 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.08461 217.0
[M+Na]+ 563.06655 226.2
[M+NH4]+ 558.11115 220.2
[M+K]+ 579.04049 219.3
[M-H]- 539.07005 221.5
[M+Na-2H]- 561.05200 224.8
[M]+ 540.07678 220.1
[M]- 540.07788 220.1
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.