CID 4189490

882749-29-3

Structural Information

Molecular Formula
C18H18F2N4O3
SMILES
C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])C3=CC=C(C=C3)F
InChI
InChI=1S/C18H18F2N4O3/c19-13-1-4-15(5-2-13)23-9-7-22(8-10-23)12-18(25)21-14-3-6-16(20)17(11-14)24(26)27/h1-6,11H,7-10,12H2,(H,21,25)
InChIKey
UURMPELEZSQICI-UHFFFAOYSA-N
Compound name
N-(4-fluoro-3-nitrophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1347 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14198 184.4
[M+Na]+ 399.12392 188.2
[M-H]- 375.12742 188.1
[M+NH4]+ 394.16852 191.6
[M+K]+ 415.09786 178.7
[M+H-H2O]+ 359.13196 175.9
[M+HCOO]- 421.13290 200.9
[M+CH3COO]- 435.14855 214.0
[M+Na-2H]- 397.10937 187.2
[M]+ 376.13415 176.3
[M]- 376.13525 176.3
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.