CID 71314821

4-chloro trazodone isomer

Structural Information

Molecular Formula
C19H22ClN5O
SMILES
C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C19H22ClN5O/c20-16-5-7-17(8-6-16)23-14-12-22(13-15-23)9-3-11-25-19(26)24-10-2-1-4-18(24)21-25/h1-2,4-8,10H,3,9,11-15H2
InChIKey
ZUZALSYWCGGMET-UHFFFAOYSA-N
Compound name
2-[3-[4-(4-chlorophenyl)piperazin-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

1
Patents

371.15128 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15856 187.8
[M+Na]+ 394.14050 204.4
[M+NH4]+ 389.18510 194.7
[M+K]+ 410.11444 196.9
[M-H]- 370.14400 191.7
[M+Na-2H]- 392.12595 196.0
[M]+ 371.15073 191.6
[M]- 371.15183 191.6
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