CID 106301

Einecs 268-029-3

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 204.6
[M+Na]+ 467.08812 211.4
[M-H]- 443.09162 215.9
[M+NH4]+ 462.13272 214.1
[M+K]+ 483.06206 205.6
[M+H-H2O]+ 427.09616 194.3
[M+HCOO]- 489.09710 225.8
[M+CH3COO]- 503.11275 242.1
[M+Na-2H]- 465.07357 208.2
[M]+ 444.09835 206.9
[M]- 444.09945 206.9
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.