CID 3074620

160244-08-6

Structural Information

Molecular Formula
C24H31N7O2
SMILES
CC1=CC2=C(C(=N1)N3CCCCC3)C(=O)N(C2=O)CCCN4CCN(CC4)C5=NC=CC=N5
InChI
InChI=1S/C24H31N7O2/c1-18-17-19-20(21(27-18)29-10-3-2-4-11-29)23(33)31(22(19)32)12-6-9-28-13-15-30(16-14-28)24-25-7-5-8-26-24/h5,7-8,17H,2-4,6,9-16H2,1H3
InChIKey
VZVOEIKVIQFBDF-UHFFFAOYSA-N
Compound name
6-methyl-4-piperidin-1-yl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolo[3,4-c]pyridine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.25394 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.26122 217.9
[M+Na]+ 472.24316 222.1
[M-H]- 448.24666 220.5
[M+NH4]+ 467.28776 218.5
[M+K]+ 488.21710 213.4
[M+H-H2O]+ 432.25120 201.9
[M+HCOO]- 494.25214 222.3
[M+CH3COO]- 508.26779 221.2
[M+Na-2H]- 470.22861 212.5
[M]+ 449.25339 211.4
[M]- 449.25449 211.4
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.