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]+ 388.15348 192.6
[M+Na]+ 410.13542 202.0
[M-H]- 386.13892 195.2
[M+NH4]+ 405.18002 199.9
[M+K]+ 426.10936 193.5
[M+H-H2O]+ 370.14346 180.1
[M+HCOO]- 432.14440 201.3
[M+CH3COO]- 446.16005 200.4
[M+Na-2H]- 408.12087 193.2
[M]+ 387.14565 193.9
[M]- 387.14675 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.