CID 106301

67990-06-1

Structural Information

Molecular Formula
C24H17ClN4O3
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)C(=O)N)Cl
InChI
InChI=1S/C24H17ClN4O3/c25-19-11-10-15(23(26)31)13-20(19)28-29-21-17-9-5-4-6-14(17)12-18(22(21)30)24(32)27-16-7-2-1-3-8-16/h1-13,30H,(H2,26,31)(H,27,32)
InChIKey
KNGRMBNMWIOJAB-UHFFFAOYSA-N
Compound name
4-[(5-carbamoyl-2-chlorophenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.0989 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.10618 205.9
[M+Na]+ 467.08812 220.4
[M+NH4]+ 462.13272 212.8
[M+K]+ 483.06206 211.6
[M-H]- 443.09162 214.7
[M+Na-2H]- 465.07357 215.6
[M]+ 444.09835 210.7
[M]- 444.09945 210.7
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.