CID 3074621

1h-pyrrolo(3,4-c)pyridine-1,3(2h)-dione, 6-methyl-2-(4-(4-phenyl-1-piperazinyl)butyl)-4-(1-piperidinyl)-

Structural Information

Molecular Formula
C27H35N5O2
SMILES
CC1=CC2=C(C(=N1)N3CCCCC3)C(=O)N(C2=O)CCCCN4CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C27H35N5O2/c1-21-20-23-24(25(28-21)31-13-6-3-7-14-31)27(34)32(26(23)33)15-9-8-12-29-16-18-30(19-17-29)22-10-4-2-5-11-22/h2,4-5,10-11,20H,3,6-9,12-19H2,1H3
InChIKey
JNSQRDDJONVZFC-UHFFFAOYSA-N
Compound name
6-methyl-2-[4-(4-phenylpiperazin-1-yl)butyl]-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

461.27908 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.28636 220.6
[M+Na]+ 484.26830 223.4
[M-H]- 460.27180 225.2
[M+NH4]+ 479.31290 223.5
[M+K]+ 500.24224 214.9
[M+H-H2O]+ 444.27634 205.3
[M+HCOO]- 506.27728 226.8
[M+CH3COO]- 520.29293 224.3
[M+Na-2H]- 482.25375 214.0
[M]+ 461.27853 214.0
[M]- 461.27963 214.0
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.