CID 3393

Flurazepam

Structural Information

Molecular Formula
C21H23ClFN3O
SMILES
CCN(CC)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F
InChI
InChI=1S/C21H23ClFN3O/c1-3-25(4-2)11-12-26-19-10-9-15(22)13-17(19)21(24-14-20(26)27)16-7-5-6-8-18(16)23/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKey
SAADBVWGJQAEFS-UHFFFAOYSA-N
Compound name
7-chloro-1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

926
References

25075
Patents

387.15137 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15865 189.6
[M+Na]+ 410.14059 198.2
[M-H]- 386.14409 195.3
[M+NH4]+ 405.18519 200.8
[M+K]+ 426.11453 196.5
[M+H-H2O]+ 370.14863 178.9
[M+HCOO]- 432.14957 203.5
[M+CH3COO]- 446.16522 226.6
[M+Na-2H]- 408.12604 191.2
[M]+ 387.15082 190.7
[M]- 387.15192 190.7
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