CID 71272

Metaclazepam

Structural Information

Molecular Formula
C18H18BrClN2O
SMILES
CN1C(CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl)COC
InChI
InChI=1S/C18H18BrClN2O/c1-22-13(11-23-2)10-21-18(14-5-3-4-6-16(14)20)15-9-12(19)7-8-17(15)22/h3-9,13H,10-11H2,1-2H3
InChIKey
WABYCCJHARSRBH-UHFFFAOYSA-N
Compound name
7-bromo-5-(2-chlorophenyl)-2-(methoxymethyl)-1-methyl-2,3-dihydro-1,4-benzodiazepine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

19
References

1516
Patents

392.0291 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.03638 178.9
[M+Na]+ 415.01832 184.9
[M+NH4]+ 410.06292 183.5
[M+K]+ 430.99226 182.7
[M-H]- 391.02182 181.4
[M+Na-2H]- 413.00377 183.3
[M]+ 392.02855 179.9
[M]- 392.02965 179.9
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