CID 3074347

Propanamide, n-(1-(2-hydroxy-2-(3-methyl-1h-pyrrol-2-yl)ethyl)-3-methyl-4-piperidinyl)-n-phenyl-

Structural Information

Molecular Formula
C22H31N3O2
SMILES
CCC(=O)N(C1CCN(CC1C)CC(C2=C(C=CN2)C)O)C3=CC=CC=C3
InChI
InChI=1S/C22H31N3O2/c1-4-21(27)25(18-8-6-5-7-9-18)19-11-13-24(14-17(19)3)15-20(26)22-16(2)10-12-23-22/h5-10,12,17,19-20,23,26H,4,11,13-15H2,1-3H3
InChIKey
MQTHRMLXQJYOHK-UHFFFAOYSA-N
Compound name
N-[1-[2-hydroxy-2-(3-methyl-1H-pyrrol-2-yl)ethyl]-3-methylpiperidin-4-yl]-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.24164 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.24892 193.0
[M+Na]+ 392.23086 202.3
[M+NH4]+ 387.27546 198.7
[M+K]+ 408.20480 198.6
[M-H]- 368.23436 196.5
[M+Na-2H]- 390.21631 197.8
[M]+ 369.24109 194.9
[M]- 369.24219 194.9
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.