CID 3046639

Brn 2179443

Structural Information

Molecular Formula
C29H44N2O2
SMILES
CC(C)N(CC(CN(C(C)C)C(C)C)OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C29H44N2O2/c1-21(2)30(22(3)4)19-27(20-31(23(5)6)24(7)8)33-29(32)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
InChIKey
OJYJAOUVJRSLAF-UHFFFAOYSA-N
Compound name
1,3-bis[di(propan-2-yl)amino]propan-2-yl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.34027 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.34755 221.1
[M+Na]+ 475.32949 218.0
[M-H]- 451.33299 227.6
[M+NH4]+ 470.37409 229.2
[M+K]+ 491.30343 218.2
[M+H-H2O]+ 435.33753 210.8
[M+HCOO]- 497.33847 236.9
[M+CH3COO]- 511.35412 251.3
[M+Na-2H]- 473.31494 212.4
[M]+ 452.33972 224.4
[M]- 452.34082 224.4
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.