CID 3053883

70540-69-1

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]+ 390.217606 196.2
[M+Na]+ 412.199548 199.8
[M-H]- 388.203054 201.0
[M+NH4]+ 407.244153 203.0
[M+K]+ 428.173488 193.7
[M+H-H2O]+ 372.207590 183.5
[M+HCOO]- 434.208531 207.1
[M+CH3COO]- 448.224181 202.8
[M+Na-2H]- 410.184996 195.9
[M]+ 389.20978142 192.2
[M]- 389.21087858 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.