CID 44150602

75198-94-6

Structural Information

Molecular Formula
C21H20N4O5S
SMILES
CC1=C(C=CC(=C1)OC)N=NC2=CC=C(C=C2)N=NC3=C(C=CC(=C3)S(=O)(=O)O)OC
InChI
InChI=1S/C21H20N4O5S/c1-14-12-17(29-2)8-10-19(14)24-22-15-4-6-16(7-5-15)23-25-20-13-18(31(26,27)28)9-11-21(20)30-3/h4-13H,1-3H3,(H,26,27,28)
InChIKey
KRLWEYHUMIGJSL-UHFFFAOYSA-N
Compound name
4-methoxy-3-[[4-[(4-methoxy-2-methylphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.11545 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.12273 203.2
[M+Na]+ 463.10467 210.6
[M-H]- 439.10817 217.1
[M+NH4]+ 458.14927 213.3
[M+K]+ 479.07861 207.6
[M+H-H2O]+ 423.11271 191.5
[M+HCOO]- 485.11365 229.3
[M+CH3COO]- 499.12930 242.7
[M+Na-2H]- 461.09012 209.0
[M]+ 440.11490 211.8
[M]- 440.11600 211.8
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.