CID 135512002

Trazolopride

Structural Information

Molecular Formula
C20H23N5O2
SMILES
COC1=CC2=C(C=C1C(=O)NC3CCN(CC3)CC4=CC=CC=C4)NN=N2
InChI
InChI=1S/C20H23N5O2/c1-27-19-12-18-17(22-24-23-18)11-16(19)20(26)21-15-7-9-25(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,21,26)(H,22,23,24)
InChIKey
OXTOFRAJJGNAEW-UHFFFAOYSA-N
Compound name
N-(1-benzylpiperidin-4-yl)-6-methoxy-3H-benzotriazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.18518 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.19246 186.1
[M+Na]+ 388.17440 191.6
[M-H]- 364.17790 189.8
[M+NH4]+ 383.21900 194.0
[M+K]+ 404.14834 185.0
[M+H-H2O]+ 348.18244 174.1
[M+HCOO]- 410.18338 201.0
[M+CH3COO]- 424.19903 193.7
[M+Na-2H]- 386.15985 188.6
[M]+ 365.18463 183.4
[M]- 365.18573 183.4
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

No patent data available for this compound.