CID 111711

68900-72-1

Structural Information

Molecular Formula
C24H25N5O6S
SMILES
CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)N(CCO)CCO)O
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/h2-10,15,27,30-32H,11-14H2,1H3
InChIKey
NQBOYKQSIWGRHY-UHFFFAOYSA-N
Compound name
3-hydroxy-N,N-bis(2-hydroxyethyl)-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]naphthalene-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

511.15256 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.15984 218.0
[M+Na]+ 534.14178 228.6
[M+NH4]+ 529.18638 220.8
[M+K]+ 550.11572 224.1
[M-H]- 510.14528 221.5
[M+Na-2H]- 532.12723 224.3
[M]+ 511.15201 220.5
[M]- 511.15311 220.5
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