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]+ 425.233596 212.0
[M+Na]+ 447.215538 218.9
[M-H]- 423.219044 219.0
[M+NH4]+ 442.260143 216.2
[M+K]+ 463.189478 209.3
[M+H-H2O]+ 407.223580 196.4
[M+HCOO]- 469.224521 223.7
[M+CH3COO]- 483.240171 218.2
[M+Na-2H]- 445.200986 212.7
[M]+ 424.22577142 208.6
[M]- 424.22686858 208.6
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

No patent data available for this compound.