CID 5279781

Piperazine,1-[(7-cyano-4-methoxy-1h-indol-3-yl)oxoacetyl]-4-(4-quinazolinyl)-

Structural Information

Molecular Formula
C24H20N6O3
SMILES
COC1=C2C(=CNC2=C(C=C1)C#N)C(=O)C(=O)N3CCN(CC3)C4=NC=NC5=CC=CC=C54
InChI
InChI=1S/C24H20N6O3/c1-33-19-7-6-15(12-25)21-20(19)17(13-26-21)22(31)24(32)30-10-8-29(9-11-30)23-16-4-2-3-5-18(16)27-14-28-23/h2-7,13-14,26H,8-11H2,1H3
InChIKey
MFPRPLFNKWXICD-UHFFFAOYSA-N
Compound name
4-methoxy-3-[2-oxo-2-(4-quinazolin-4-ylpiperazin-1-yl)acetyl]-1H-indole-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

440.1597 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.16698 204.2
[M+Na]+ 463.14892 212.6
[M-H]- 439.15242 204.2
[M+NH4]+ 458.19352 206.9
[M+K]+ 479.12286 201.9
[M+H-H2O]+ 423.15696 184.5
[M+HCOO]- 485.15790 210.4
[M+CH3COO]- 499.17355 208.2
[M+Na-2H]- 461.13437 203.1
[M]+ 440.15915 197.1
[M]- 440.16025 197.1
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

patents stripe