CID 388403

Nsc683284

Structural Information

Molecular Formula
C22H20N2O11S3
SMILES
CC1=NC2=C(C=CC(=C2C(=C1)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OC)OC
InChI
InChI=1S/C22H20N2O11S3/c1-11-8-15(21-16(34-2)5-6-17(35-3)22(21)23-11)24-14-4-7-18(37(28,29)30)13-9-12(36(25,26)27)10-19(20(13)14)38(31,32)33/h4-10H,1-3H3,(H,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)
InChIKey
QCVJTGPWOOVZAH-UHFFFAOYSA-N
Compound name
8-[(5,8-dimethoxy-2-methylquinolin-4-yl)amino]naphthalene-1,3,5-trisulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.02295 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.03023 225.2
[M+Na]+ 607.01217 230.4
[M-H]- 583.01567 225.9
[M+NH4]+ 602.05677 225.9
[M+K]+ 622.98611 225.6
[M+H-H2O]+ 567.02021 217.6
[M+HCOO]- 629.02115 224.7
[M+CH3COO]- 643.03680 246.3
[M+Na-2H]- 604.99762 237.7
[M]+ 584.02240 234.2
[M]- 584.02350 234.2
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.