CID 3045061

Sl-b 868

Structural Information

Molecular Formula
C24H27F3N4O
SMILES
C1CC(=NN(C(=O)C1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C24H27F3N4O/c25-24(26,27)20-8-4-9-21(18-20)30-15-12-29(13-16-30)14-17-31-23(32)11-5-10-22(28-31)19-6-2-1-3-7-19/h1-4,6-9,18H,5,10-17H2
InChIKey
FCOCQQOBHJVFSR-UHFFFAOYSA-N
Compound name
7-phenyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-5,6-dihydro-4H-diazepin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.21368 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.22096 205.8
[M+Na]+ 467.20290 214.3
[M+NH4]+ 462.24750 208.7
[M+K]+ 483.17684 208.5
[M-H]- 443.20640 206.1
[M+Na-2H]- 465.18835 211.1
[M]+ 444.21313 206.9
[M]- 444.21423 206.9
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

No patent data available for this compound.