CID 3045059

Sl-b 864

Structural Information

Molecular Formula
C23H28N4O
SMILES
C1CC(=NN(C(=O)C1)CCN2CCN(CC2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H28N4O/c28-23-13-7-12-22(20-8-3-1-4-9-20)24-27(23)19-16-25-14-17-26(18-15-25)21-10-5-2-6-11-21/h1-6,8-11H,7,12-19H2
InChIKey
KCMHPCXOBDBFLC-UHFFFAOYSA-N
Compound name
7-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]-5,6-dihydro-4H-diazepin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

376.22632 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.23360 200.0
[M+Na]+ 399.21554 212.5
[M+NH4]+ 394.26014 205.9
[M+K]+ 415.18948 204.6
[M-H]- 375.21904 205.5
[M+Na-2H]- 397.20099 208.5
[M]+ 376.22577 203.4
[M]- 376.22687 203.4
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