CID 3074839

164071-40-3

Structural Information

Molecular Formula
C23H29N5O3
SMILES
CC1=CC2=C(C(=O)N1C)C(=O)N(N(C2=O)C)CCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C23H29N5O3/c1-17-16-19-20(22(30)24(17)2)23(31)28(25(3)21(19)29)11-7-10-26-12-14-27(15-13-26)18-8-5-4-6-9-18/h4-6,8-9,16H,7,10-15H2,1-3H3
InChIKey
PLBKDUQINCDKSO-UHFFFAOYSA-N
Compound name
2,6,7-trimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]pyrido[3,4-d]pyridazine-1,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.22705 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.23433 211.1
[M+Na]+ 446.21627 220.6
[M-H]- 422.21977 214.9
[M+NH4]+ 441.26087 215.1
[M+K]+ 462.19021 212.4
[M+H-H2O]+ 406.22431 197.2
[M+HCOO]- 468.22525 222.4
[M+CH3COO]- 482.24090 217.9
[M+Na-2H]- 444.20172 210.2
[M]+ 423.22650 212.1
[M]- 423.22760 212.1
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

No patent data available for this compound.