CID 183782

160845-95-4

Structural Information

Molecular Formula
C19H29ClN2O2
SMILES
CCCCN1CCC(CC1)CCC(=O)C2=CC(=C(C=C2OC)N)Cl
InChI
InChI=1S/C19H29ClN2O2/c1-3-4-9-22-10-7-14(8-11-22)5-6-18(23)15-12-16(20)17(21)13-19(15)24-2/h12-14H,3-11,21H2,1-2H3
InChIKey
JBHLYIVFFLNISJ-UHFFFAOYSA-N
Compound name
1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-butylpiperidin-4-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

70
References

270
Patents

352.19174 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.19902 187.4
[M+Na]+ 375.18096 192.2
[M-H]- 351.18446 190.9
[M+NH4]+ 370.22556 199.6
[M+K]+ 391.15490 186.5
[M+H-H2O]+ 335.18900 179.1
[M+HCOO]- 397.18994 199.8
[M+CH3COO]- 411.20559 217.4
[M+Na-2H]- 373.16641 184.6
[M]+ 352.19119 188.0
[M]- 352.19229 188.0
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