CID 22595

C.i. direct violet 9

Structural Information

Molecular Formula
C30H25N5O8S2
SMILES
CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)OC)N=NC3=C(C=C4C=C(C=CC4=C3O)NC5=CC=CC=C5)S(=O)(=O)O
InChI
InChI=1S/C30H25N5O8S2/c1-18-14-26(27(43-2)17-25(18)33-32-21-8-11-23(12-9-21)44(37,38)39)34-35-29-28(45(40,41)42)16-19-15-22(10-13-24(19)30(29)36)31-20-6-4-3-5-7-20/h3-17,31,36H,1-2H3,(H,37,38,39)(H,40,41,42)
InChIKey
POHJIWSCJNKSOQ-UHFFFAOYSA-N
Compound name
7-anilino-4-hydroxy-3-[[2-methoxy-5-methyl-4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

270
Patents

647.11444 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 648.12172 242.5
[M+Na]+ 670.10366 253.2
[M+NH4]+ 665.14826 245.2
[M+K]+ 686.07760 244.6
[M-H]- 646.10716 250.1
[M+Na-2H]- 668.08911 253.1
[M]+ 647.11389 246.8
[M]- 647.11499 246.8
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