CID 44206

Brn 2179433

Structural Information

Molecular Formula
C29H45N3O
SMILES
CC(C)N(CC(CN(C(C)C)C(C)C)NC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C29H45N3O/c1-21(2)31(22(3)4)19-27(20-32(23(5)6)24(7)8)30-29(33)28(25-15-11-9-12-16-25)26-17-13-10-14-18-26/h9-18,21-24,27-28H,19-20H2,1-8H3,(H,30,33)
InChIKey
IOVBLEMFBBYWRA-UHFFFAOYSA-N
Compound name
N-[1,3-bis[di(propan-2-yl)amino]propan-2-yl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.35626 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.36354 218.9
[M+Na]+ 474.34548 225.1
[M+NH4]+ 469.39008 224.0
[M+K]+ 490.31942 220.5
[M-H]- 450.34898 223.4
[M+Na-2H]- 472.33093 223.2
[M]+ 451.35571 220.7
[M]- 451.35681 220.7
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.