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 212.0
[M+Na]+ 447.21554 218.9
[M-H]- 423.21904 219.0
[M+NH4]+ 442.26014 216.2
[M+K]+ 463.18948 209.3
[M+H-H2O]+ 407.22358 196.4
[M+HCOO]- 469.22452 223.7
[M+CH3COO]- 483.24017 218.2
[M+Na-2H]- 445.20099 212.7
[M]+ 424.22577 208.6
[M]- 424.22687 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.