CID 19732

Anazolene

Structural Information

Molecular Formula
C26H19N3O10S3
SMILES
C1=CC=C(C=C1)NC2=C3C(=C(C=C2)N=NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O)C=CC=C3S(=O)(=O)O
InChI
InChI=1S/C26H19N3O10S3/c30-23-14-18(41(34,35)36)12-15-11-17(40(31,32)33)13-22(25(15)23)29-28-20-9-10-21(27-16-5-2-1-3-6-16)26-19(20)7-4-8-24(26)42(37,38)39/h1-14,27,30H,(H,31,32,33)(H,34,35,36)(H,37,38,39)
InChIKey
QFVHZQCOUORWEI-UHFFFAOYSA-N
Compound name
4-[(4-anilino-5-sulfonaphthalen-1-yl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

74717
Patents

629.02325 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 630.03053 229.1
[M+Na]+ 652.01247 238.6
[M+NH4]+ 647.05707 231.2
[M+K]+ 667.98641 231.1
[M-H]- 628.01597 231.9
[M+Na-2H]- 649.99792 237.3
[M]+ 629.02270 232.3
[M]- 629.02380 232.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe