CID 169501921

Triazolopyridinone dihydrodiol

Structural Information

Molecular Formula
C19H24ClN5O3
SMILES
C1CN(CCN1CCCN2C(=O)N3C=CC(C(C3=N2)O)O)C4=CC(=CC=C4)Cl
InChI
InChI=1S/C19H24ClN5O3/c20-14-3-1-4-15(13-14)23-11-9-22(10-12-23)6-2-7-25-19(28)24-8-5-16(26)17(27)18(24)21-25/h1,3-5,8,13,16-17,26-27H,2,6-7,9-12H2
InChIKey
IYBCNRWFAJHXHK-UHFFFAOYSA-N
Compound name
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-7,8-dihydroxy-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

405.15677 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16405 197.8
[M+Na]+ 428.14599 205.4
[M-H]- 404.14949 198.8
[M+NH4]+ 423.19059 203.8
[M+K]+ 444.11993 197.5
[M+H-H2O]+ 388.15403 186.0
[M+HCOO]- 450.15497 202.5
[M+CH3COO]- 464.17062 204.1
[M+Na-2H]- 426.13144 195.5
[M]+ 405.15622 196.5
[M]- 405.15732 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.