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

12
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.