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 190.5
[M+Na]+ 385.16352 197.1
[M-H]- 361.16702 194.7
[M+NH4]+ 380.20812 197.5
[M+K]+ 401.13746 190.1
[M+H-H2O]+ 345.17156 177.2
[M+HCOO]- 407.17250 202.9
[M+CH3COO]- 421.18815 198.0
[M+Na-2H]- 383.14897 192.9
[M]+ 362.17375 187.5
[M]- 362.17485 187.5
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.