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]+ 356.17171 181.3
[M+Na]+ 378.15365 183.0
[M-H]- 354.15715 185.7
[M+NH4]+ 373.19825 187.5
[M+K]+ 394.12759 174.3
[M+H-H2O]+ 338.16169 173.5
[M+HCOO]- 400.16263 198.6
[M+CH3COO]- 414.17828 209.1
[M+Na-2H]- 376.13910 187.2
[M]+ 355.16388 174.8
[M]- 355.16498 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.