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 192.5
[M+Na]+ 392.23086 194.3
[M-H]- 368.23436 197.3
[M+NH4]+ 387.27546 202.2
[M+K]+ 408.20480 189.9
[M+H-H2O]+ 352.23890 182.5
[M+HCOO]- 414.23984 206.5
[M+CH3COO]- 428.25549 219.3
[M+Na-2H]- 390.21631 187.9
[M]+ 369.24109 188.2
[M]- 369.24219 188.2
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.