CID 3076521

Piperazine, 1-methyl-4-(4-((4-oxo-2-phenyl-3(4h)-quinazolinyl)amino)benzoyl)-

Structural Information

Molecular Formula
C26H25N5O2
SMILES
CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NN3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5
InChI
InChI=1S/C26H25N5O2/c1-29-15-17-30(18-16-29)25(32)20-11-13-21(14-12-20)28-31-24(19-7-3-2-4-8-19)27-23-10-6-5-9-22(23)26(31)33/h2-14,28H,15-18H2,1H3
InChIKey
UAZYYPPDWMSDFN-UHFFFAOYSA-N
Compound name
3-[4-(4-methylpiperazine-1-carbonyl)anilino]-2-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.20084 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.20812 209.7
[M+Na]+ 462.19006 215.0
[M-H]- 438.19356 216.7
[M+NH4]+ 457.23466 212.5
[M+K]+ 478.16400 206.6
[M+H-H2O]+ 422.19810 194.5
[M+HCOO]- 484.19904 222.3
[M+CH3COO]- 498.21469 215.5
[M+Na-2H]- 460.17551 212.2
[M]+ 439.20029 205.3
[M]- 439.20139 205.3
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.