CID 11971549

104373-65-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 180.6
[M+Na]+ 378.15365 193.2
[M+NH4]+ 373.19825 186.2
[M+K]+ 394.12759 189.3
[M-H]- 354.15715 186.1
[M+Na-2H]- 376.13910 188.6
[M]+ 355.16388 183.5
[M]- 355.16498 183.5
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

patents stripe