CID 147997

Nsc632490

Structural Information

Molecular Formula
C28H30N6O6S
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)N=NC3=C(C=C4C=CC(=CC4=C3O)N)S(=O)(=O)O)OCCO
InChI
InChI=1S/C28H30N6O6S/c1-3-34(4-2)22-10-7-20(8-11-22)30-31-21-9-12-24(25(17-21)40-14-13-35)32-33-27-26(41(37,38)39)15-18-5-6-19(29)16-23(18)28(27)36/h5-12,15-17,35-36H,3-4,13-14,29H2,1-2H3,(H,37,38,39)
InChIKey
VQGQXNRFIZWZGN-UHFFFAOYSA-N
Compound name
6-amino-3-[[4-[[4-(diethylamino)phenyl]diazenyl]-2-(2-hydroxyethoxy)phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.19476 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.20204 233.0
[M+Na]+ 601.18398 236.4
[M-H]- 577.18748 244.6
[M+NH4]+ 596.22858 236.4
[M+K]+ 617.15792 234.1
[M+H-H2O]+ 561.19202 220.3
[M+HCOO]- 623.19296 254.8
[M+CH3COO]- 637.20861 274.7
[M+Na-2H]- 599.16943 238.8
[M]+ 578.19421 240.1
[M]- 578.19531 240.1
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.