CID 119574

Renzapride

Structural Information

Molecular Formula
C16H22ClN3O2
SMILES
COC1=CC(=C(C=C1C(=O)N[C@@H]2CCN3CCC[C@H]2C3)Cl)N
InChI
InChI=1S/C16H22ClN3O2/c1-22-15-8-13(18)12(17)7-11(15)16(21)19-14-4-6-20-5-2-3-10(14)9-20/h7-8,10,14H,2-6,9,18H2,1H3,(H,19,21)/t10-,14+/m0/s1
InChIKey
GZSKEXSLDPEFPT-IINYFYTJSA-N
Compound name
4-amino-N-[(4R,5S)-1-azabicyclo[3.3.1]nonan-4-yl]-5-chloro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

93
References

2148
Patents

323.14005 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14733 174.7
[M+Na]+ 346.12927 179.7
[M-H]- 322.13277 177.8
[M+NH4]+ 341.17387 189.2
[M+K]+ 362.10321 174.8
[M+H-H2O]+ 306.13731 167.2
[M+HCOO]- 368.13825 185.9
[M+CH3COO]- 382.15390 212.7
[M+Na-2H]- 344.11472 176.5
[M]+ 323.13950 171.6
[M]- 323.14060 171.6
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