CID 57267

Eticlopride

Structural Information

Molecular Formula
C17H25ClN2O3
SMILES
CCC1=CC(=C(C(=C1O)C(=O)NC[C@@H]2CCCN2CC)OC)Cl
InChI
InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
InChIKey
AADCDMQTJNYOSS-LBPRGKRZSA-N
Compound name
5-chloro-3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

422
References

835
Patents

340.15536 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16264 181.7
[M+Na]+ 363.14458 188.7
[M-H]- 339.14808 185.7
[M+NH4]+ 358.18918 196.2
[M+K]+ 379.11852 183.5
[M+H-H2O]+ 323.15262 174.8
[M+HCOO]- 385.15356 196.4
[M+CH3COO]- 399.16921 211.9
[M+Na-2H]- 361.13003 178.7
[M]+ 340.15481 184.6
[M]- 340.15591 184.6
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