CID 3088688

118989-83-6

Structural Information

Molecular Formula
C20H24N4O4
SMILES
C1CN(C(CN1CC(=O)NC2=CC=CC=C2[N+](=O)[O-])CCO)C3=CC=CC=C3
InChI
InChI=1S/C20H24N4O4/c25-13-10-17-14-22(11-12-23(17)16-6-2-1-3-7-16)15-20(26)21-18-8-4-5-9-19(18)24(27)28/h1-9,17,25H,10-15H2,(H,21,26)
InChIKey
DYOFKLYYHDCSDW-UHFFFAOYSA-N
Compound name
2-[3-(2-hydroxyethyl)-4-phenylpiperazin-1-yl]-N-(2-nitrophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.17975 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.18703 189.6
[M+Na]+ 407.16897 201.3
[M+NH4]+ 402.21357 194.8
[M+K]+ 423.14291 197.7
[M-H]- 383.17247 194.9
[M+Na-2H]- 405.15442 196.2
[M]+ 384.17920 192.3
[M]- 384.18030 192.3
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.