CID 11971547

1-piperazinepropanamide, n-(3-nitrophenyl)-4-(2-pyridinyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H21N5O3
SMILES
C1CN(CCN1CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=N3
InChI
InChI=1S/C18H21N5O3/c24-18(20-15-4-3-5-16(14-15)23(25)26)7-9-21-10-12-22(13-11-21)17-6-1-2-8-19-17/h1-6,8,14H,7,9-13H2,(H,20,24)
InChIKey
MMXIAJGQHFBBSA-UHFFFAOYSA-N
Compound name
N-(3-nitrophenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.16443 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.171706 181.3
[M+Na]+ 378.153648 183.0
[M-H]- 354.157154 185.7
[M+NH4]+ 373.198253 187.5
[M+K]+ 394.127588 174.3
[M+H-H2O]+ 338.161690 173.5
[M+HCOO]- 400.162631 198.6
[M+CH3COO]- 414.178281 209.1
[M+Na-2H]- 376.139096 187.2
[M]+ 355.16388142 174.8
[M]- 355.16497858 174.8
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.