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

3132
Patents

479.04572 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.05300 203.7
[M+Na]+ 502.03494 209.4
[M-H]- 478.03844 208.8
[M+NH4]+ 497.07954 210.3
[M+K]+ 518.00888 205.1
[M+H-H2O]+ 462.04298 195.4
[M+HCOO]- 524.04392 214.3
[M+CH3COO]- 538.05957 237.3
[M+Na-2H]- 500.02039 210.8
[M]+ 479.04517 209.4
[M]- 479.04627 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