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 189.2
[M+Na]+ 407.16897 190.3
[M-H]- 383.17247 193.6
[M+NH4]+ 402.21357 195.0
[M+K]+ 423.14291 181.4
[M+H-H2O]+ 367.17701 182.2
[M+HCOO]- 429.17795 205.8
[M+CH3COO]- 443.19360 213.1
[M+Na-2H]- 405.15442 192.8
[M]+ 384.17920 183.0
[M]- 384.18030 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.