CID 3429209

N-(4-methoxyphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

Structural Information

Molecular Formula
C19H22N4O4
SMILES
COC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H22N4O4/c1-27-18-8-2-15(3-9-18)20-19(24)14-21-10-12-22(13-11-21)16-4-6-17(7-5-16)23(25)26/h2-9H,10-14H2,1H3,(H,20,24)
InChIKey
ASTBIOMJLLXPFF-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1641 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17138 185.6
[M+Na]+ 393.15332 187.5
[M-H]- 369.15682 191.5
[M+NH4]+ 388.19792 192.6
[M+K]+ 409.12726 179.6
[M+H-H2O]+ 353.16136 178.4
[M+HCOO]- 415.16230 204.0
[M+CH3COO]- 429.17795 212.6
[M+Na-2H]- 391.13877 189.9
[M]+ 370.16355 180.7
[M]- 370.16465 180.7
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.