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]+ 375.121836 185.8
[M+Na]+ 397.103778 188.8
[M-H]- 373.107284 191.4
[M+NH4]+ 392.148383 193.6
[M+K]+ 413.077718 179.2
[M+H-H2O]+ 357.111820 179.6
[M+HCOO]- 419.112761 199.7
[M+CH3COO]- 433.128411 211.1
[M+Na-2H]- 395.089226 189.7
[M]+ 374.11401142 181.6
[M]- 374.11510858 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.