CID 59841

Benzamide, 2,6-dimethyl-4-nitro-n-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C20H25N5O3
SMILES
CC1=CC(=CC(=C1C(=O)NCCN2CCN(CC2)C3=CC=CC=N3)C)[N+](=O)[O-]
InChI
InChI=1S/C20H25N5O3/c1-15-13-17(25(27)28)14-16(2)19(15)20(26)22-7-8-23-9-11-24(12-10-23)18-5-3-4-6-21-18/h3-6,13-14H,7-12H2,1-2H3,(H,22,26)
InChIKey
AAVUMNWPWJEXJC-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-nitro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.19574 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20302 192.1
[M+Na]+ 406.18496 194.8
[M-H]- 382.18846 197.0
[M+NH4]+ 401.22956 197.7
[M+K]+ 422.15890 185.6
[M+H-H2O]+ 366.19300 184.4
[M+HCOO]- 428.19394 208.6
[M+CH3COO]- 442.20959 217.4
[M+Na-2H]- 404.17041 195.4
[M]+ 383.19519 187.1
[M]- 383.19629 187.1
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.