CID 56777249

1-(1-(3-methoxy-4-nitrophenyl)piperidin-4-yl)-4-methylpiperazine

Structural Information

Molecular Formula
C17H26N4O3
SMILES
CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C17H26N4O3/c1-18-9-11-20(12-10-18)14-5-7-19(8-6-14)15-3-4-16(21(22)23)17(13-15)24-2/h3-4,13-14H,5-12H2,1-2H3
InChIKey
HNYSXOZEEKWPNM-UHFFFAOYSA-N
Compound name
1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

174
Patents

334.2005 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.20778 182.0
[M+Na]+ 357.18972 183.9
[M-H]- 333.19322 186.0
[M+NH4]+ 352.23432 189.8
[M+K]+ 373.16366 176.1
[M+H-H2O]+ 317.19776 174.7
[M+HCOO]- 379.19870 195.0
[M+CH3COO]- 393.21435 205.6
[M+Na-2H]- 355.17517 183.9
[M]+ 334.19995 173.8
[M]- 334.20105 173.8
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.