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 167.9
[M+Na]+ 314.10305 176.5
[M-H]- 290.10655 169.3
[M+NH4]+ 309.14765 180.5
[M+K]+ 330.07699 169.1
[M+H-H2O]+ 274.11109 158.4
[M+HCOO]- 336.11203 177.3
[M+CH3COO]- 350.12768 177.3
[M+Na-2H]- 312.08850 171.4
[M]+ 291.11328 165.6
[M]- 291.11438 165.6
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