CID 71315252

Dechloro trazodone

Structural Information

Molecular Formula
C19H23N5O
SMILES
C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC=CC=C4
InChI
InChI=1S/C19H23N5O/c25-19-23-11-5-4-9-18(23)20-24(19)12-6-10-21-13-15-22(16-14-21)17-7-2-1-3-8-17/h1-5,7-9,11H,6,10,12-16H2
InChIKey
JGIRPKCVHRVHJZ-UHFFFAOYSA-N
Compound name
2-[3-(4-phenylpiperazin-1-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

337.19025 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.19753 182.6
[M+Na]+ 360.17947 190.3
[M-H]- 336.18297 186.0
[M+NH4]+ 355.22407 191.3
[M+K]+ 376.15341 182.9
[M+H-H2O]+ 320.18751 169.4
[M+HCOO]- 382.18845 197.4
[M+CH3COO]- 396.20410 191.0
[M+Na-2H]- 358.16492 185.5
[M]+ 337.18970 181.4
[M]- 337.19080 181.4
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

patents stripe