CID 135417551

33017-98-0

Structural Information

Molecular Formula
C18H22N4O
SMILES
C1CCC2=C(C1)C(=O)NC(=N2)N3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C18H22N4O/c23-17-15-8-4-5-9-16(15)19-18(20-17)22-12-10-21(11-13-22)14-6-2-1-3-7-14/h1-3,6-7H,4-5,8-13H2,(H,19,20,23)
InChIKey
IUHUYCJRJLWYHF-UHFFFAOYSA-N
Compound name
2-(4-phenylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

310.17935 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18663 176.7
[M+Na]+ 333.16857 191.4
[M+NH4]+ 328.21317 184.3
[M+K]+ 349.14251 183.0
[M-H]- 309.17207 181.3
[M+Na-2H]- 331.15402 184.5
[M]+ 310.17880 180.0
[M]- 310.17990 180.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.