CID 135618187

Brn 0835804

Structural Information

Molecular Formula
C19H24N4O
SMILES
C1CCC2=C(CC1)N=C(NC2=O)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C19H24N4O/c24-18-16-9-5-2-6-10-17(16)20-19(21-18)23-13-11-22(12-14-23)15-7-3-1-4-8-15/h1,3-4,7-8H,2,5-6,9-14H2,(H,20,21,24)
InChIKey
BFPFIMGIEDQRAY-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.195 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20228 181.5
[M+Na]+ 347.18422 185.6
[M-H]- 323.18772 185.0
[M+NH4]+ 342.22882 189.0
[M+K]+ 363.15816 182.5
[M+H-H2O]+ 307.19226 168.7
[M+HCOO]- 369.19320 191.3
[M+CH3COO]- 383.20885 188.1
[M+Na-2H]- 345.16967 183.9
[M]+ 324.19445 170.7
[M]- 324.19555 170.7
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.