CID 3052777

Reclazepam

Structural Information

Molecular Formula
C18H13Cl2N3O2
SMILES
C1CN(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3Cl)C4=NC(=O)CO4
InChI
InChI=1S/C18H13Cl2N3O2/c19-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)20)21-7-8-23(15)18-22-16(24)10-25-18/h1-6,9H,7-8,10H2
InChIKey
MQGIGGJUPITZSE-UHFFFAOYSA-N
Compound name
2-[7-chloro-5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodiazepin-1-yl]-1,3-oxazol-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

3283
Patents

373.03848 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.045756 184.9
[M+Na]+ 396.027698 196.6
[M-H]- 372.031204 192.4
[M+NH4]+ 391.072303 195.4
[M+K]+ 412.001638 194.1
[M+H-H2O]+ 356.035740 173.4
[M+HCOO]- 418.036681 192.8
[M+CH3COO]- 432.052331 194.8
[M+Na-2H]- 394.013146 186.0
[M]+ 373.03793142 185.4
[M]- 373.03902858 185.4
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