CID 135417546

33017-99-1

Structural Information

Molecular Formula
C13H19N3O
SMILES
C1CCN(CC1)C2=NC3=C(CCCC3)C(=O)N2
InChI
InChI=1S/C13H19N3O/c17-12-10-6-2-3-7-11(10)14-13(15-12)16-8-4-1-5-9-16/h1-9H2,(H,14,15,17)
InChIKey
WWJZPDZHIQEJKN-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

233.15282 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.160096 155.4
[M+Na]+ 256.142038 160.3
[M-H]- 232.145544 155.9
[M+NH4]+ 251.186643 168.8
[M+K]+ 272.115978 155.2
[M+H-H2O]+ 216.150080 145.4
[M+HCOO]- 278.151021 167.3
[M+CH3COO]- 292.166671 164.3
[M+Na-2H]- 254.127486 159.8
[M]+ 233.15227142 146.7
[M]- 233.15336858 146.7
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