CID 13450660

93592-41-7

Structural Information

Molecular Formula
C22H24FN3O
SMILES
CC1=CC2=C(C=C1)N(C(=O)CN=C2C3=CC=CC=C3F)C4CCN(CC4)C
InChI
InChI=1S/C22H24FN3O/c1-15-7-8-20-18(13-15)22(17-5-3-4-6-19(17)23)24-14-21(27)26(20)16-9-11-25(2)12-10-16/h3-8,13,16H,9-12,14H2,1-2H3
InChIKey
MAOIRTMGZNFZEQ-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-7-methyl-1-(1-methylpiperidin-4-yl)-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.19034 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19762 192.3
[M+Na]+ 388.17956 205.1
[M+NH4]+ 383.22416 198.6
[M+K]+ 404.15350 197.7
[M-H]- 364.18306 196.1
[M+Na-2H]- 386.16501 198.6
[M]+ 365.18979 195.3
[M]- 365.19089 195.3
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

No patent data available for this compound.