CID 11971563

1-piperazinepropanamide, n-(4-hydroxyphenyl)-4-(2-pyridinyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H22N4O2
SMILES
C1CN(CCN1CCC(=O)NC2=CC=C(C=C2)O)C3=CC=CC=N3
InChI
InChI=1S/C18H22N4O2/c23-16-6-4-15(5-7-16)20-18(24)8-10-21-11-13-22(14-12-21)17-3-1-2-9-19-17/h1-7,9,23H,8,10-14H2,(H,20,24)
InChIKey
YSTNRCDUPAQIHJ-UHFFFAOYSA-N
Compound name
N-(4-hydroxyphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

326.1743 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18158 178.3
[M+Na]+ 349.16352 181.7
[M-H]- 325.16702 181.4
[M+NH4]+ 344.20812 186.1
[M+K]+ 365.13746 176.2
[M+H-H2O]+ 309.17156 166.6
[M+HCOO]- 371.17250 193.3
[M+CH3COO]- 385.18815 185.8
[M+Na-2H]- 347.14897 181.5
[M]+ 326.17375 172.9
[M]- 326.17485 172.9
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