CID 135417158

33017-94-6

Structural Information

Molecular Formula
C13H20N4O
SMILES
CN1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2
InChI
InChI=1S/C13H20N4O/c1-16-6-8-17(9-7-16)13-14-11-5-3-2-4-10(11)12(18)15-13/h2-9H2,1H3,(H,14,15,18)
InChIKey
SQCWABLHLAOJBR-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

248.16371 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.17099 161.8
[M+Na]+ 271.15293 167.7
[M-H]- 247.15643 161.3
[M+NH4]+ 266.19753 173.5
[M+K]+ 287.12687 162.3
[M+H-H2O]+ 231.16097 151.2
[M+HCOO]- 293.16191 172.3
[M+CH3COO]- 307.17756 170.2
[M+Na-2H]- 269.13838 165.3
[M]+ 248.16316 154.1
[M]- 248.16426 154.1
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.