CID 105294

66142-94-7

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 217.4
[M+Na]+ 534.14178 226.7
[M+NH4]+ 529.18638 220.4
[M+K]+ 550.11572 222.4
[M-H]- 510.14528 220.9
[M+Na-2H]- 532.12723 222.8
[M]+ 511.15201 219.7
[M]- 511.15311 219.7
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.