CID 4178658

329778-79-2

Structural Information

Molecular Formula
C18H19ClN4O3
SMILES
C1CN(CCN1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=C3
InChI
InChI=1S/C18H19ClN4O3/c19-16-7-6-14(12-17(16)23(25)26)20-18(24)13-21-8-10-22(11-9-21)15-4-2-1-3-5-15/h1-7,12H,8-11,13H2,(H,20,24)
InChIKey
FHURAEQGIWGWSV-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-nitrophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.11456 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.12184 185.8
[M+Na]+ 397.10378 188.8
[M-H]- 373.10728 191.4
[M+NH4]+ 392.14838 193.6
[M+K]+ 413.07772 179.2
[M+H-H2O]+ 357.11182 179.6
[M+HCOO]- 419.11276 199.7
[M+CH3COO]- 433.12841 211.1
[M+Na-2H]- 395.08923 189.7
[M]+ 374.11401 181.6
[M]- 374.11511 181.6
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.