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]+ 372.191776 189.7
[M+Na]+ 394.173718 192.1
[M-H]- 370.177224 195.3
[M+NH4]+ 389.218323 197.1
[M+K]+ 410.147658 183.9
[M+H-H2O]+ 354.181760 182.2
[M+HCOO]- 416.182701 207.4
[M+CH3COO]- 430.198351 211.5
[M+Na-2H]- 392.159166 193.6
[M]+ 371.18395142 187.1
[M]- 371.18504858 187.1
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.