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 197.0
[M+Na]+ 399.21554 199.4
[M-H]- 375.21904 202.9
[M+NH4]+ 394.26014 201.5
[M+K]+ 415.18948 196.5
[M+H-H2O]+ 359.22358 182.2
[M+HCOO]- 421.22452 208.0
[M+CH3COO]- 435.24017 202.6
[M+Na-2H]- 397.20099 196.9
[M]+ 376.22577 187.5
[M]- 376.22687 187.5
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