CID 24842238

104373-68-4

Structural Information

Molecular Formula
C19H23N5O4
SMILES
COC1=CC=CC(=N1)N2CCN(CC2C3=CC=C(C=C3)[N+](=O)[O-])CCC(=O)N
InChI
InChI=1S/C19H23N5O4/c1-28-19-4-2-3-18(21-19)23-12-11-22(10-9-17(20)25)13-16(23)14-5-7-15(8-6-14)24(26)27/h2-8,16H,9-13H2,1H3,(H2,20,25)
InChIKey
QSBVGOOOPMUHAJ-UHFFFAOYSA-N
Compound name
3-[4-(6-methoxypyridin-2-yl)-3-(4-nitrophenyl)piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.17502 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18230 188.5
[M+Na]+ 408.16424 200.7
[M+NH4]+ 403.20884 193.2
[M+K]+ 424.13818 197.8
[M-H]- 384.16774 193.4
[M+Na-2H]- 406.14969 194.8
[M]+ 385.17447 191.1
[M]- 385.17557 191.1
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.