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 189.4
[M+Na]+ 394.14050 198.6
[M-H]- 370.14400 192.7
[M+NH4]+ 389.18510 197.9
[M+K]+ 410.11444 190.1
[M+H-H2O]+ 354.14854 176.2
[M+HCOO]- 416.14948 199.4
[M+CH3COO]- 430.16513 197.6
[M+Na-2H]- 392.12595 190.9
[M]+ 371.15073 190.6
[M]- 371.15183 190.6
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