CID 46781917

53818-10-3

Structural Information

Molecular Formula
C19H22ClN5O2
SMILES
C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=C(C=C4)O)Cl
InChI
InChI=1S/C19H22ClN5O2/c20-16-14-15(5-6-17(16)26)23-12-10-22(11-13-23)7-3-9-25-19(27)24-8-2-1-4-18(24)21-25/h1-2,4-6,8,14,26H,3,7,9-13H2
InChIKey
FNUZSRSXQFIOPL-UHFFFAOYSA-N
Compound name
2-[3-[4-(3-chloro-4-hydroxyphenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

387.1462 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.153476 192.6
[M+Na]+ 410.135418 202.0
[M-H]- 386.138924 195.2
[M+NH4]+ 405.180023 199.9
[M+K]+ 426.109358 193.5
[M+H-H2O]+ 370.143460 180.1
[M+HCOO]- 432.144401 201.3
[M+CH3COO]- 446.160051 200.4
[M+Na-2H]- 408.120866 193.2
[M]+ 387.14565142 193.9
[M]- 387.14674858 193.9
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

No patent data available for this compound.