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
3
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

literature stripe

Patent stripe

patents stripe