CID 105294

Dtxsid70886777

Structural Information

Molecular Formula
C24H25N5O6S
SMILES
CC1=NN(C(=O)C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)N(CCO)CCO)O)C4=CC=CC=C4
InChI
InChI=1S/C24H25N5O6S/c1-16-22(24(33)29(27-16)17-7-3-2-4-8-17)25-26-23-19-10-6-5-9-18(19)21(15-20(23)32)36(34,35)28(11-13-30)12-14-31/h2-10,15,22,30-32H,11-14H2,1H3
InChIKey
NPCQCUDIAGLXGU-UHFFFAOYSA-N
Compound name
3-hydroxy-N,N-bis(2-hydroxyethyl)-4-[(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.15256 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.15984 217.3
[M+Na]+ 534.14178 222.8
[M-H]- 510.14528 225.7
[M+NH4]+ 529.18638 222.8
[M+K]+ 550.11572 218.6
[M+H-H2O]+ 494.14982 207.4
[M+HCOO]- 556.15076 233.0
[M+CH3COO]- 570.16641 248.2
[M+Na-2H]- 532.12723 220.2
[M]+ 511.15201 223.3
[M]- 511.15311 223.3
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.