CID 10221435

61337-89-1

Structural Information

Molecular Formula
C17H21N3O
SMILES
CN1CCN(C(C1)C2=CC=CC=C2)C3=C(C=CC=N3)CO
InChI
InChI=1S/C17H21N3O/c1-19-10-11-20(17-15(13-21)8-5-9-18-17)16(12-19)14-6-3-2-4-7-14/h2-9,16,21H,10-13H2,1H3
InChIKey
PYZPABZGIRHQTA-UHFFFAOYSA-N
Compound name
[2-(4-methyl-2-phenylpiperazin-1-yl)pyridin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

283.16846 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 170.0
[M+Na]+ 306.15768 185.0
[M+NH4]+ 301.20228 177.8
[M+K]+ 322.13162 176.8
[M-H]- 282.16118 174.9
[M+Na-2H]- 304.14313 179.2
[M]+ 283.16791 173.6
[M]- 283.16901 173.6
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