CID 63544

4(3h)-quinazolinone, 2-methyl-3-(2-methyl-5-((4-phenyl-1-piperazinyl)methyl)phenyl)-

Structural Information

Molecular Formula
C27H28N4O
SMILES
CC1=C(C=C(C=C1)CN2CCN(CC2)C3=CC=CC=C3)N4C(=NC5=CC=CC=C5C4=O)C
InChI
InChI=1S/C27H28N4O/c1-20-12-13-22(19-29-14-16-30(17-15-29)23-8-4-3-5-9-23)18-26(20)31-21(2)28-25-11-7-6-10-24(25)27(31)32/h3-13,18H,14-17,19H2,1-2H3
InChIKey
FARKCEQLSBQDHR-UHFFFAOYSA-N
Compound name
2-methyl-3-[2-methyl-5-[(4-phenylpiperazin-1-yl)methyl]phenyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.22632 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.23360 209.6
[M+Na]+ 447.21554 228.6
[M+NH4]+ 442.26014 217.1
[M+K]+ 463.18948 217.5
[M-H]- 423.21904 217.8
[M+Na-2H]- 445.20099 220.4
[M]+ 424.22577 214.9
[M]- 424.22687 214.9
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.