CID 3070505

Brn 5630223

Structural Information

Molecular Formula
C20H26N4O2
SMILES
CC(C1=CC=C(C=C1)NC(=O)CCN2CCN(CC2)C3=CC=CC=N3)O
InChI
InChI=1S/C20H26N4O2/c1-16(25)17-5-7-18(8-6-17)22-20(26)9-11-23-12-14-24(15-13-23)19-4-2-3-10-21-19/h2-8,10,16,25H,9,11-15H2,1H3,(H,22,26)
InChIKey
HTRSFGIHCRMLEE-UHFFFAOYSA-N
Compound name
N-[4-(1-hydroxyethyl)phenyl]-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

354.20557 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21285 186.7
[M+Na]+ 377.19479 188.8
[M-H]- 353.19829 189.5
[M+NH4]+ 372.23939 193.3
[M+K]+ 393.16873 183.5
[M+H-H2O]+ 337.20283 174.8
[M+HCOO]- 399.20377 200.0
[M+CH3COO]- 413.21942 214.3
[M+Na-2H]- 375.18024 187.8
[M]+ 354.20502 181.4
[M]- 354.20612 181.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe