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

191
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

literature stripe

Patent stripe

patents stripe