CID 1250768

329059-07-6

Structural Information

Molecular Formula
C18H19FN4O3
SMILES
C1CN(CCN1CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3F
InChI
InChI=1S/C18H19FN4O3/c19-16-6-1-2-7-17(16)22-10-8-21(9-11-22)13-18(24)20-14-4-3-5-15(12-14)23(25)26/h1-7,12H,8-11,13H2,(H,20,24)
InChIKey
HZXWIUKBVNWHOE-UHFFFAOYSA-N
Compound name
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1441 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.15138 181.1
[M+Na]+ 381.13332 183.8
[M-H]- 357.13682 185.8
[M+NH4]+ 376.17792 188.7
[M+K]+ 397.10726 174.9
[M+H-H2O]+ 341.14136 173.3
[M+HCOO]- 403.14230 198.6
[M+CH3COO]- 417.15795 210.2
[M+Na-2H]- 379.11877 185.1
[M]+ 358.14355 173.6
[M]- 358.14465 173.6
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.