CID 72226

86187-86-2

Structural Information

Molecular Formula
C19H21ClN2O
SMILES
CC1CCN(CC1)C2=C(C=C(C=C2)N)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H21ClN2O/c1-13-8-10-22(11-9-13)18-7-6-16(21)12-17(18)19(23)14-2-4-15(20)5-3-14/h2-7,12-13H,8-11,21H2,1H3
InChIKey
RTHJIPJVGHYRMG-UHFFFAOYSA-N
Compound name
[5-amino-2-(4-methylpiperidin-1-yl)phenyl]-(4-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

328.13425 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.14153 178.9
[M+Na]+ 351.12347 185.2
[M-H]- 327.12697 186.0
[M+NH4]+ 346.16807 191.6
[M+K]+ 367.09741 178.3
[M+H-H2O]+ 311.13151 169.8
[M+HCOO]- 373.13245 192.4
[M+CH3COO]- 387.14810 188.5
[M+Na-2H]- 349.10892 178.6
[M]+ 328.13370 175.7
[M]- 328.13480 175.7
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