CID 21498643

N1-(2-hydroxyethyl)flurazepam

Structural Information

Molecular Formula
C18H16ClFN2O2
SMILES
COCCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
InChI
InChI=1S/C18H16ClFN2O2/c1-24-9-8-22-16-7-6-12(19)10-14(16)18(21-11-17(22)23)13-4-2-3-5-15(13)20/h2-7,10H,8-9,11H2,1H3
InChIKey
UBKVMFUMOAWHGB-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-fluorophenyl)-1-(2-methoxyethyl)-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

346.08844 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09572 175.1
[M+Na]+ 369.07766 185.5
[M-H]- 345.08116 180.0
[M+NH4]+ 364.12226 187.5
[M+K]+ 385.05160 183.6
[M+H-H2O]+ 329.08570 165.4
[M+HCOO]- 391.08664 188.7
[M+CH3COO]- 405.10229 185.7
[M+Na-2H]- 367.06311 178.4
[M]+ 346.08789 175.9
[M]- 346.08899 175.9
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

patents stripe