CID 135666602

71002-19-2

Structural Information

Molecular Formula
C24H20N6O5S
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC2=CC(=C3C=CC(=C(C3=C2N)O)N=NC4=CC=CC=C4)S(=O)(=O)O
InChI
InChI=1S/C24H20N6O5S/c1-14(31)26-15-7-9-17(10-8-15)28-30-20-13-21(36(33,34)35)18-11-12-19(24(32)22(18)23(20)25)29-27-16-5-3-2-4-6-16/h2-13,32H,25H2,1H3,(H,26,31)(H,33,34,35)
InChIKey
FGVGYUANLGWQBZ-UHFFFAOYSA-N
Compound name
3-[(4-acetamidophenyl)diazenyl]-4-amino-5-hydroxy-6-phenyldiazenylnaphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

504.12158 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.12886 213.8
[M+Na]+ 527.11080 219.3
[M-H]- 503.11430 226.0
[M+NH4]+ 522.15540 220.2
[M+K]+ 543.08474 215.7
[M+H-H2O]+ 487.11884 202.1
[M+HCOO]- 549.11978 237.2
[M+CH3COO]- 563.13543 258.6
[M+Na-2H]- 525.09625 221.4
[M]+ 504.12103 217.4
[M]- 504.12213 217.4
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.