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]+ 385.187026 189.2
[M+Na]+ 407.168968 190.3
[M-H]- 383.172474 193.6
[M+NH4]+ 402.213573 195.0
[M+K]+ 423.142908 181.4
[M+H-H2O]+ 367.177010 182.2
[M+HCOO]- 429.177951 205.8
[M+CH3COO]- 443.193601 213.1
[M+Na-2H]- 405.154416 192.8
[M]+ 384.17920142 183.0
[M]- 384.18029858 183.0
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.