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

86
Patents

344.09277 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10005 176.1
[M+Na]+ 367.08199 184.5
[M-H]- 343.08549 181.8
[M+NH4]+ 362.12659 188.2
[M+K]+ 383.05593 183.8
[M+H-H2O]+ 327.09003 167.2
[M+HCOO]- 389.09097 188.8
[M+CH3COO]- 403.10662 186.2
[M+Na-2H]- 365.06744 178.7
[M]+ 344.09222 176.1
[M]- 344.09332 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.