CID 4991500

N-(2-methoxy-5-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide

Structural Information

Molecular Formula
C20H24N4O4
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H24N4O4/c1-15-3-8-19(28-2)18(13-15)21-20(25)14-22-9-11-23(12-10-22)16-4-6-17(7-5-16)24(26)27/h3-8,13H,9-12,14H2,1-2H3,(H,21,25)
InChIKey
XJZQDGMVZFJEDD-UHFFFAOYSA-N
Compound name
N-(2-methoxy-5-methylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]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 190.8
[M+Na]+ 407.168968 193.2
[M-H]- 383.172474 196.9
[M+NH4]+ 402.213573 197.6
[M+K]+ 423.142908 185.1
[M+H-H2O]+ 367.177010 183.7
[M+HCOO]- 429.177951 208.8
[M+CH3COO]- 443.193601 216.8
[M+Na-2H]- 405.154416 193.9
[M]+ 384.17920142 186.7
[M]- 384.18029858 186.7
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.