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]+ 373.16704 186.3
[M+Na]+ 395.14898 189.6
[M-H]- 371.15248 191.2
[M+NH4]+ 390.19358 193.7
[M+K]+ 411.12292 180.4
[M+H-H2O]+ 355.15702 178.6
[M+HCOO]- 417.15796 203.5
[M+CH3COO]- 431.17361 214.3
[M+Na-2H]- 393.13443 189.1
[M]+ 372.15921 179.6
[M]- 372.16031 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.