CID 3041474

Brn 0433524

Structural Information

Molecular Formula
C21H29N3O
SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN(C)C(C)CC2=CC=CC=C2
InChI
InChI=1S/C21H29N3O/c1-5-21(25)24(20-13-9-10-14-22-20)18(3)16-23(4)17(2)15-19-11-7-6-8-12-19/h6-14,17-18H,5,15-16H2,1-4H3
InChIKey
HISNWBAROZOAGQ-UHFFFAOYSA-N
Compound name
N-[1-[methyl(1-phenylpropan-2-yl)amino]propan-2-yl]-N-pyridin-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.23105 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.238326 187.0
[M+Na]+ 362.220268 188.4
[M-H]- 338.223774 193.5
[M+NH4]+ 357.264873 198.8
[M+K]+ 378.194208 186.9
[M+H-H2O]+ 322.228310 176.4
[M+HCOO]- 384.229251 208.1
[M+CH3COO]- 398.244901 225.2
[M+Na-2H]- 360.205716 187.2
[M]+ 339.23050142 188.9
[M]- 339.23159858 188.9
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.