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

literature stripe

Patent stripe

patents stripe