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]+ 327.181576 178.3
[M+Na]+ 349.163518 181.7
[M-H]- 325.167024 181.4
[M+NH4]+ 344.208123 186.1
[M+K]+ 365.137458 176.2
[M+H-H2O]+ 309.171560 166.6
[M+HCOO]- 371.172501 193.3
[M+CH3COO]- 385.188151 185.8
[M+Na-2H]- 347.148966 181.5
[M]+ 326.17375142 172.9
[M]- 326.17484858 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