CID 80917

Acid red 35

Structural Information

Molecular Formula
C19H17N3O8S2
SMILES
CC1=CC=CC=C1N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)NC(=O)C)O
InChI
InChI=1S/C19H17N3O8S2/c1-10-5-3-4-6-14(10)21-22-18-16(32(28,29)30)8-12-7-13(31(25,26)27)9-15(20-11(2)23)17(12)19(18)24/h3-9,24H,1-2H3,(H,20,23)(H,25,26,27)(H,28,29,30)
InChIKey
MWQZCIAZVZWFDV-UHFFFAOYSA-N
Compound name
5-acetamido-4-hydroxy-3-[(2-methylphenyl)diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3297
Patents

479.04572 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.052996 203.7
[M+Na]+ 502.034938 209.4
[M-H]- 478.038444 208.8
[M+NH4]+ 497.079543 210.3
[M+K]+ 518.008878 205.1
[M+H-H2O]+ 462.042980 195.4
[M+HCOO]- 524.043921 214.3
[M+CH3COO]- 538.059571 237.3
[M+Na-2H]- 500.020386 210.8
[M]+ 479.04517142 209.4
[M]- 479.04626858 209.4
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

patents stripe