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]+ 292.121106 167.9
[M+Na]+ 314.103048 176.5
[M-H]- 290.106554 169.3
[M+NH4]+ 309.147653 180.5
[M+K]+ 330.076988 169.1
[M+H-H2O]+ 274.111090 158.4
[M+HCOO]- 336.112031 177.3
[M+CH3COO]- 350.127681 177.3
[M+Na-2H]- 312.088496 171.4
[M]+ 291.11328142 165.6
[M]- 291.11437858 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