CID 3075249

173174-88-4

Structural Information

Molecular Formula
C26H33N5O3
SMILES
CC1=CC2=C(C(=N1)N3CCCCC3)C(=O)N(C2=O)CC(CN4CCN(CC4)C5=CC=CC=C5)O
InChI
InChI=1S/C26H33N5O3/c1-19-16-22-23(24(27-19)30-10-6-3-7-11-30)26(34)31(25(22)33)18-21(32)17-28-12-14-29(15-13-28)20-8-4-2-5-9-20/h2,4-5,8-9,16,21,32H,3,6-7,10-15,17-18H2,1H3
InChIKey
BWKCDKWAWLRORV-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-6-methyl-4-piperidin-1-ylpyrrolo[3,4-c]pyridine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.25833 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.26561 216.6
[M+Na]+ 486.24755 228.1
[M+NH4]+ 481.29215 221.1
[M+K]+ 502.22149 223.3
[M-H]- 462.25105 220.5
[M+Na-2H]- 484.23300 220.4
[M]+ 463.25778 219.0
[M]- 463.25888 219.0
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.