CID 59692

Batanopride

Structural Information

Molecular Formula
C17H26ClN3O3
SMILES
CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC(C)C(=O)C)N)Cl
InChI
InChI=1S/C17H26ClN3O3/c1-5-21(6-2)8-7-20-17(23)13-9-14(18)15(19)10-16(13)24-12(4)11(3)22/h9-10,12H,5-8,19H2,1-4H3,(H,20,23)
InChIKey
ZYOJXUNLLOBURP-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-(3-oxobutan-2-yloxy)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

605
Patents

355.16626 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.173536 187.2
[M+Na]+ 378.155478 191.9
[M-H]- 354.158984 191.3
[M+NH4]+ 373.200083 200.8
[M+K]+ 394.129418 189.5
[M+H-H2O]+ 338.163520 180.3
[M+HCOO]- 400.164461 205.6
[M+CH3COO]- 414.180111 226.9
[M+Na-2H]- 376.140926 184.0
[M]+ 355.16571142 192.3
[M]- 355.16680858 192.3
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