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]+ 340.23833 187.0
[M+Na]+ 362.22027 188.4
[M-H]- 338.22377 193.5
[M+NH4]+ 357.26487 198.8
[M+K]+ 378.19421 186.9
[M+H-H2O]+ 322.22831 176.4
[M+HCOO]- 384.22925 208.1
[M+CH3COO]- 398.24490 225.2
[M+Na-2H]- 360.20572 187.2
[M]+ 339.23050 188.9
[M]- 339.23160 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.