CID 3088692

118989-85-8

Structural Information

Molecular Formula
C19H22N4O3
SMILES
CC1CN(CCN1C2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H22N4O3/c1-15-13-21(11-12-22(15)17-5-3-2-4-6-17)14-19(24)20-16-7-9-18(10-8-16)23(25)26/h2-10,15H,11-14H2,1H3,(H,20,24)
InChIKey
LJOCZWFSVBYSKA-UHFFFAOYSA-N
Compound name
2-(3-methyl-4-phenylpiperazin-1-yl)-N-(4-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1692 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.176476 183.0
[M+Na]+ 377.158418 185.2
[M-H]- 353.161924 188.9
[M+NH4]+ 372.203023 190.8
[M+K]+ 393.132358 176.6
[M+H-H2O]+ 337.166460 176.0
[M+HCOO]- 399.167401 201.2
[M+CH3COO]- 413.183051 210.5
[M+Na-2H]- 375.143866 187.1
[M]+ 354.16865142 176.8
[M]- 354.16974858 176.8
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.