CID 3053883

Brn 0855823

Structural Information

Molecular Formula
C24H27N3O2
SMILES
CC(C)C(C(=O)N1CCCCC1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C24H27N3O2/c1-17(2)21(24(29)26-15-9-4-10-16-26)27-22(18-11-5-3-6-12-18)25-20-14-8-7-13-19(20)23(27)28/h3,5-8,11-14,17,21H,4,9-10,15-16H2,1-2H3
InChIKey
PFZSPRQUHBOMLD-UHFFFAOYSA-N
Compound name
3-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.21033 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.21761 196.2
[M+Na]+ 412.19955 199.8
[M-H]- 388.20305 201.0
[M+NH4]+ 407.24415 203.0
[M+K]+ 428.17349 193.7
[M+H-H2O]+ 372.20759 183.5
[M+HCOO]- 434.20853 207.1
[M+CH3COO]- 448.22418 202.8
[M+Na-2H]- 410.18500 195.9
[M]+ 389.20978 192.2
[M]- 389.21088 192.2
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.