CID 103270

65151-40-8

Structural Information

Molecular Formula
C24H18N4O9S2
SMILES
CC1=C(C=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C24H18N4O9S2/c1-14-10-17(25-24(29)15-3-7-19(8-4-15)28(30)31)6-9-22(14)27-26-18-5-2-16-11-20(38(32,33)34)13-23(21(16)12-18)39(35,36)37/h2-13H,1H3,(H,25,29)(H,32,33,34)(H,35,36,37)
InChIKey
BAIANUKAWXBIIR-UHFFFAOYSA-N
Compound name
7-[[2-methyl-4-[(4-nitrobenzoyl)amino]phenyl]diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

570.0515 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 571.05878 221.6
[M+Na]+ 593.04072 223.0
[M-H]- 569.04422 229.8
[M+NH4]+ 588.08532 222.8
[M+K]+ 609.01466 214.8
[M+H-H2O]+ 553.04876 214.9
[M+HCOO]- 615.04970 233.5
[M+CH3COO]- 629.06535 247.3
[M+Na-2H]- 591.02617 233.9
[M]+ 570.05095 223.4
[M]- 570.05205 223.4
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.