CID 3053879

Brn 0847203

Structural Information

Molecular Formula
C21H22N4O2
SMILES
CN1CCN(CC1)C(=O)CN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C21H22N4O2/c1-23-11-13-24(14-12-23)19(26)15-25-20(16-7-3-2-4-8-16)22-18-10-6-5-9-17(18)21(25)27/h2-10H,11-15H2,1H3
InChIKey
UIXBBNSXZOGOBE-UHFFFAOYSA-N
Compound name
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18158 188.4
[M+Na]+ 385.16352 204.3
[M+NH4]+ 380.20812 194.8
[M+K]+ 401.13746 196.0
[M-H]- 361.16702 192.9
[M+Na-2H]- 383.14897 196.7
[M]+ 362.17375 191.9
[M]- 362.17485 191.9
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.