CID 5177268

N-(5-fluoro-2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

Structural Information

Molecular Formula
C19H21FN4O3
SMILES
CC1=C(C=C(C=C1)F)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H21FN4O3/c1-14-2-3-15(20)12-18(14)21-19(25)13-22-8-10-23(11-9-22)16-4-6-17(7-5-16)24(26)27/h2-7,12H,8-11,13H2,1H3,(H,21,25)
InChIKey
IHDISYWBDMSBPC-UHFFFAOYSA-N
Compound name
N-(5-fluoro-2-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.15976 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.167036 186.3
[M+Na]+ 395.148978 189.6
[M-H]- 371.152484 191.2
[M+NH4]+ 390.193583 193.7
[M+K]+ 411.122918 180.4
[M+H-H2O]+ 355.157020 178.6
[M+HCOO]- 417.157961 203.5
[M+CH3COO]- 431.173611 214.3
[M+Na-2H]- 393.134426 189.1
[M]+ 372.15921142 179.6
[M]- 372.16030858 179.6
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.