CID 24842236

104373-66-2

Structural Information

Molecular Formula
C19H23N5O4
SMILES
COC1=CC=CC(=N1)C2CN(CCN2CCC(=O)N)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C19H23N5O4/c1-28-19-8-4-5-14(21-19)17-13-23(12-11-22(17)10-9-18(20)25)15-6-2-3-7-16(15)24(26)27/h2-8,17H,9-13H2,1H3,(H2,20,25)
InChIKey
NISTXEXEJYNVOO-UHFFFAOYSA-N
Compound name
3-[2-(6-methoxypyridin-2-yl)-4-(2-nitrophenyl)piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.17502 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18230 190.2
[M+Na]+ 408.16424 193.0
[M-H]- 384.16774 194.8
[M+NH4]+ 403.20884 195.3
[M+K]+ 424.13818 184.4
[M+H-H2O]+ 368.17228 182.5
[M+HCOO]- 430.17322 206.6
[M+CH3COO]- 444.18887 216.7
[M+Na-2H]- 406.14969 193.4
[M]+ 385.17447 185.3
[M]- 385.17557 185.3
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.