CID 135413504

Alizapride [inn]

Structural Information

Molecular Formula
C16H21N5O2
SMILES
COC1=CC2=C(C=C1C(=O)NCC3CCCN3CC=C)NN=N2
InChI
InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)
InChIKey
KSEYRUGYKHXGFW-UHFFFAOYSA-N
Compound name
6-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-3H-benzotriazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

107
References

5378
Patents

315.16953 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17681 174.5
[M+Na]+ 338.15875 184.1
[M+NH4]+ 333.20335 179.3
[M+K]+ 354.13269 182.6
[M-H]- 314.16225 174.5
[M+Na-2H]- 336.14420 177.6
[M]+ 315.16898 175.3
[M]- 315.17008 175.3
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

patents stripe