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 190.9
[M+Na]+ 388.17956 197.7
[M-H]- 364.18306 196.7
[M+NH4]+ 383.22416 199.7
[M+K]+ 404.15350 194.9
[M+H-H2O]+ 348.18760 178.6
[M+HCOO]- 410.18854 202.8
[M+CH3COO]- 424.20419 198.7
[M+Na-2H]- 386.16501 190.6
[M]+ 365.18979 183.8
[M]- 365.19089 183.8
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.