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]+ 325.202276 181.5
[M+Na]+ 347.184218 185.6
[M-H]- 323.187724 185.0
[M+NH4]+ 342.228823 189.0
[M+K]+ 363.158158 182.5
[M+H-H2O]+ 307.192260 168.7
[M+HCOO]- 369.193201 191.3
[M+CH3COO]- 383.208851 188.1
[M+Na-2H]- 345.169666 183.9
[M]+ 324.19445142 170.7
[M]- 324.19554858 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.