CID 165430

Direct fast violet 2rl

Structural Information

Molecular Formula
C32H29N5O7S2
SMILES
CC1=CC(=C(C(=C1)S(=O)(=O)O)N=NC2=C(C=C(C(=C2)C)N=NC3=C(C=C4C=C(C=CC4=C3O)NC5=CC=CC=C5)S(=O)(=O)O)C)C
InChI
InChI=1S/C32H29N5O7S2/c1-18-12-21(4)30(28(13-18)45(39,40)41)36-34-26-14-20(3)27(15-19(26)2)35-37-31-29(46(42,43)44)17-22-16-24(10-11-25(22)32(31)38)33-23-8-6-5-7-9-23/h5-17,33,38H,1-4H3,(H,39,40,41)(H,42,43,44)
InChIKey
AVGNPNVKTQEJNK-UHFFFAOYSA-N
Compound name
7-anilino-3-[[4-[(2,4-dimethyl-6-sulfophenyl)diazenyl]-2,5-dimethylphenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1538
Patents

659.1508 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 660.15808 251.2
[M+Na]+ 682.14002 262.6
[M+NH4]+ 677.18462 254.0
[M+K]+ 698.11396 253.2
[M-H]- 658.14352 259.3
[M+Na-2H]- 680.12547 261.0
[M]+ 659.15025 255.8
[M]- 659.15135 255.8
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

No patent data available for this compound.