CID 131770015

Triazolopyridinone epoxide

Structural Information

Molecular Formula
C19H22ClN5O2
SMILES
C1CN(CCN1CCCN2C(=O)N3C=CC4C(C3=N2)O4)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C19H22ClN5O2/c20-14-3-1-4-15(13-14)23-11-9-22(10-12-23)6-2-7-25-19(26)24-8-5-16-17(27-16)18(24)21-25/h1,3-5,8,13,16-17H,2,6-7,9-12H2
InChIKey
QFERKVDPWYTEPE-UHFFFAOYSA-N
Compound name
9-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-3-oxa-7,9,10-triazatricyclo[5.3.0.02,4]deca-1(10),5-dien-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.1462 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15348 192.9
[M+Na]+ 410.13542 209.9
[M+NH4]+ 405.18002 200.5
[M+K]+ 426.10936 204.5
[M-H]- 386.13892 204.2
[M+Na-2H]- 408.12087 199.8
[M]+ 387.14565 199.9
[M]- 387.14675 199.9
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.