CID 135488288

849140-31-4

Structural Information

Molecular Formula
C15H18ClN3O
SMILES
CC1CCN(CC1)CC2=NC3=C(C=CC(=C3)Cl)C(=O)N2
InChI
InChI=1S/C15H18ClN3O/c1-10-4-6-19(7-5-10)9-14-17-13-8-11(16)2-3-12(13)15(20)18-14/h2-3,8,10H,4-7,9H2,1H3,(H,17,18,20)
InChIKey
NHTAQXURKZZSJV-UHFFFAOYSA-N
Compound name
7-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.11383 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12111 166.9
[M+Na]+ 314.10305 182.6
[M+NH4]+ 309.14765 175.1
[M+K]+ 330.07699 173.9
[M-H]- 290.10655 170.1
[M+Na-2H]- 312.08850 173.6
[M]+ 291.11328 170.4
[M]- 291.11438 170.4
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

patents stripe