CID 63896

6-bromo-3-(2-methylphenyl)-2-((2-methyl-1-piperidinyl)methyl)-4(3h)-quinazolinone

Structural Information

Molecular Formula
C22H24BrN3O
SMILES
CC1CCCCN1CC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=CC=C4C
InChI
InChI=1S/C22H24BrN3O/c1-15-7-3-4-9-20(15)26-21(14-25-12-6-5-8-16(25)2)24-19-11-10-17(23)13-18(19)22(26)27/h3-4,7,9-11,13,16H,5-6,8,12,14H2,1-2H3
InChIKey
YUOGIUAAPIXCDR-UHFFFAOYSA-N
Compound name
6-bromo-3-(2-methylphenyl)-2-[(2-methylpiperidin-1-yl)methyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.11026 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.11754 197.7
[M+Na]+ 448.09948 207.9
[M-H]- 424.10298 206.0
[M+NH4]+ 443.14408 208.6
[M+K]+ 464.07342 194.0
[M+H-H2O]+ 408.10752 193.1
[M+HCOO]- 470.10846 209.9
[M+CH3COO]- 484.12411 207.7
[M+Na-2H]- 446.08493 200.0
[M]+ 425.10971 214.1
[M]- 425.11081 214.1
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

No patent data available for this compound.