CID 65803

Arfendazam

Structural Information

Molecular Formula
C18H17ClN2O3
SMILES
CCOC(=O)N1CCC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C18H17ClN2O3/c1-2-24-18(23)20-11-10-17(22)21(14-6-4-3-5-7-14)16-12-13(19)8-9-15(16)20/h3-9,12H,2,10-11H2,1H3
InChIKey
NXJWVCHVPUCWJS-UHFFFAOYSA-N
Compound name
ethyl 7-chloro-4-oxo-5-phenyl-2,3-dihydro-1,5-benzodiazepine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

344.09277 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.100046 176.1
[M+Na]+ 367.081988 184.5
[M-H]- 343.085494 181.8
[M+NH4]+ 362.126593 188.2
[M+K]+ 383.055928 183.8
[M+H-H2O]+ 327.090030 167.2
[M+HCOO]- 389.090971 188.8
[M+CH3COO]- 403.106621 186.2
[M+Na-2H]- 365.067436 178.7
[M]+ 344.09222142 176.1
[M]- 344.09331858 176.1
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.