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]+ 385.18703 190.8
[M+Na]+ 407.16897 193.2
[M-H]- 383.17247 196.9
[M+NH4]+ 402.21357 197.6
[M+K]+ 423.14291 185.1
[M+H-H2O]+ 367.17701 183.7
[M+HCOO]- 429.17795 208.8
[M+CH3COO]- 443.19360 216.8
[M+Na-2H]- 405.15442 193.9
[M]+ 384.17920 186.7
[M]- 384.18030 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.