CID 510020

1-piperazinecarboxylic acid, 4,4'-(3-phenyl-1,8-naphthyridine-2,7-diyl)bis-, bis(1-methylpropyl) ester

Structural Information

Molecular Formula
C32H42N6O4
SMILES
CCC(C)OC(=O)N1CCN(CC1)C2=NC3=NC(=C(C=C3C=C2)C4=CC=CC=C4)N5CCN(CC5)C(=O)OC(C)CC
InChI
InChI=1S/C32H42N6O4/c1-5-23(3)41-31(39)37-18-14-35(15-19-37)28-13-12-26-22-27(25-10-8-7-9-11-25)30(34-29(26)33-28)36-16-20-38(21-17-36)32(40)42-24(4)6-2/h7-13,22-24H,5-6,14-21H2,1-4H3
InChIKey
RFHNEAOGJPRNPX-UHFFFAOYSA-N
Compound name
butan-2-yl 4-[7-(4-butan-2-yloxycarbonylpiperazin-1-yl)-6-phenyl-1,8-naphthyridin-2-yl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

574.3268 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.33408 242.5
[M+Na]+ 597.31602 241.5
[M-H]- 573.31952 245.0
[M+NH4]+ 592.36062 236.8
[M+K]+ 613.28996 235.3
[M+H-H2O]+ 557.32406 225.8
[M+HCOO]- 619.32500 242.5
[M+CH3COO]- 633.34065 242.7
[M+Na-2H]- 595.30147 236.2
[M]+ 574.32625 238.1
[M]- 574.32735 238.1
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.