CID 134542

C.i. direct red 10

Structural Information

Molecular Formula
C32H23N5O7S2
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)O)S(=O)(=O)O
InChI
InChI=1S/C32H23N5O7S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)36-34-21-13-9-19(10-14-21)20-11-15-22(16-12-20)35-37-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)38/h1-18,38H,33H2,(H,39,40,41)(H,42,43,44)
InChIKey
TZCACGMZCLGYSG-UHFFFAOYSA-N
Compound name
4-amino-3-[[4-[4-[(1-hydroxy-4-sulfonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

653.1039 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 654.11118 242.0
[M+Na]+ 676.09312 255.2
[M+NH4]+ 671.13772 246.0
[M+K]+ 692.06706 245.1
[M-H]- 652.09662 251.2
[M+Na-2H]- 674.07857 254.1
[M]+ 653.10335 247.3
[M]- 653.10445 247.3
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.