CID 3299

Ethyl loflazepate

Structural Information

Molecular Formula
C18H14ClFN2O3
SMILES
CCOC(=O)C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F
InChI
InChI=1S/C18H14ClFN2O3/c1-2-25-18(24)16-17(23)21-14-8-7-10(19)9-12(14)15(22-16)11-5-3-4-6-13(11)20/h3-9,16H,2H2,1H3,(H,21,23)
InChIKey
CUCHJCMWNFEYOM-UHFFFAOYSA-N
Compound name
ethyl 7-chloro-5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

54
References

2298
Patents

360.0677 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07498 176.5
[M+Na]+ 383.05692 186.3
[M-H]- 359.06042 180.4
[M+NH4]+ 378.10152 187.6
[M+K]+ 399.03086 184.7
[M+H-H2O]+ 343.06496 167.3
[M+HCOO]- 405.06590 188.2
[M+CH3COO]- 419.08155 186.3
[M+Na-2H]- 381.04237 178.6
[M]+ 360.06715 175.8
[M]- 360.06825 175.8
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