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 177.1
[M+Na]+ 333.16857 181.9
[M-H]- 309.17207 179.2
[M+NH4]+ 328.21317 185.3
[M+K]+ 349.14251 174.5
[M+H-H2O]+ 293.17661 164.3
[M+HCOO]- 355.17755 187.0
[M+CH3COO]- 369.19320 184.1
[M+Na-2H]- 331.15402 180.4
[M]+ 310.17880 168.2
[M]- 310.17990 168.2
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.