CID 3069157

Brn 4720667

Structural Information

Molecular Formula
C20H25N3O4
SMILES
COC1=CC=CC(=C1)N2CCN(CC2)CCCOC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H25N3O4/c1-26-20-5-2-4-18(16-20)22-13-11-21(12-14-22)10-3-15-27-19-8-6-17(7-9-19)23(24)25/h2,4-9,16H,3,10-15H2,1H3
InChIKey
QGIUATQSSROWNK-UHFFFAOYSA-N
Compound name
1-(3-methoxyphenyl)-4-[3-(4-nitrophenoxy)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1845 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.19178 188.3
[M+Na]+ 394.17372 202.2
[M+NH4]+ 389.21832 194.8
[M+K]+ 410.14766 196.9
[M-H]- 370.17722 194.3
[M+Na-2H]- 392.15917 196.1
[M]+ 371.18395 191.8
[M]- 371.18505 191.8
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.