CID 3088692

1-piperazineacetamide, 4-methyl-n-(4-nitrophenyl)-n-phenyl-, (z)-2-butenedioate (1:2)

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]+ 355.17648 182.3
[M+Na]+ 377.15842 195.3
[M+NH4]+ 372.20302 188.7
[M+K]+ 393.13236 191.0
[M-H]- 353.16192 188.7
[M+Na-2H]- 375.14387 190.2
[M]+ 354.16865 185.7
[M]- 354.16975 185.7
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.