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)-3-pyridinyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

283.16846 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.175736 169.9
[M+Na]+ 306.157678 175.7
[M-H]- 282.161184 173.4
[M+NH4]+ 301.202283 180.4
[M+K]+ 322.131618 169.8
[M+H-H2O]+ 266.165720 158.8
[M+HCOO]- 328.166661 184.8
[M+CH3COO]- 342.182311 178.9
[M+Na-2H]- 304.143126 173.1
[M]+ 283.16791142 165.2
[M]- 283.16900858 165.2
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