CID 59441823

1116229-11-8

Structural Information

Molecular Formula
C13H17N3O4
SMILES
CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])OC
InChI
InChI=1S/C13H17N3O4/c1-10(17)14-5-7-15(8-6-14)11-3-4-12(16(18)19)13(9-11)20-2/h3-4,9H,5-8H2,1-2H3
InChIKey
GUTDYFMBYFDQBU-UHFFFAOYSA-N
Compound name
1-[4-(3-methoxy-4-nitrophenyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

279.12192 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.12920 161.1
[M+Na]+ 302.11114 173.3
[M+NH4]+ 297.15574 167.2
[M+K]+ 318.08508 170.9
[M-H]- 278.11464 164.0
[M+Na-2H]- 300.09659 166.2
[M]+ 279.12137 163.3
[M]- 279.12247 163.3
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

patents stripe