CID 38668

Doxefazepam

Structural Information

Molecular Formula
C17H14ClFN2O3
SMILES
C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F
InChI
InChI=1S/C17H14ClFN2O3/c18-10-5-6-14-12(9-10)15(11-3-1-2-4-13(11)19)20-16(23)17(24)21(14)7-8-22/h1-6,9,16,22-23H,7-8H2
InChIKey
VOJLELRQLPENHL-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

9
References

800
Patents

348.0677 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.07498 174.6
[M+Na]+ 371.05692 185.1
[M-H]- 347.06042 177.6
[M+NH4]+ 366.10152 185.8
[M+K]+ 387.03086 183.2
[M+H-H2O]+ 331.06496 165.8
[M+HCOO]- 393.06590 185.9
[M+CH3COO]- 407.08155 184.5
[M+Na-2H]- 369.04237 177.0
[M]+ 348.06715 173.5
[M]- 348.06825 173.5
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