CID 17410

Reactive blue 19

Structural Information

Molecular Formula
C22H18N2O11S3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N
InChI
InChI=1S/C22H18N2O11S3/c23-20-17(37(29,30)31)11-16(18-19(20)22(26)15-7-2-1-6-14(15)21(18)25)24-12-4-3-5-13(10-12)36(27,28)9-8-35-38(32,33)34/h1-7,10-11,24H,8-9,23H2,(H,29,30,31)(H,32,33,34)
InChIKey
VGPIJNLQDSYRBZ-UHFFFAOYSA-N
Compound name
1-amino-9,10-dioxo-4-[3-(2-sulfooxyethylsulfonyl)anilino]anthracene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

205
References

7276
Patents

582.00726 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.01454 220.2
[M+Na]+ 604.99648 226.4
[M+NH4]+ 600.04108 221.2
[M+K]+ 620.97042 220.9
[M-H]- 580.99998 218.7
[M+Na-2H]- 602.98193 223.2
[M]+ 582.00671 221.5
[M]- 582.00781 221.5
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