CID 3046638

Brn 2169781

Structural Information

Molecular Formula
C25H36N2O2
SMILES
CC(C)N(CC(CN(C)C)OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2)C(C)C
InChI
InChI=1S/C25H36N2O2/c1-19(2)27(20(3)4)18-23(17-26(5)6)29-25(28)24(21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,19-20,23-24H,17-18H2,1-6H3
InChIKey
ZLHOKVATGFXOKM-UHFFFAOYSA-N
Compound name
[1-(dimethylamino)-3-[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

396.27768 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.28496 204.5
[M+Na]+ 419.26690 203.5
[M-H]- 395.27040 211.7
[M+NH4]+ 414.31150 215.0
[M+K]+ 435.24084 203.3
[M+H-H2O]+ 379.27494 194.3
[M+HCOO]- 441.27588 223.6
[M+CH3COO]- 455.29153 238.1
[M+Na-2H]- 417.25235 199.9
[M]+ 396.27713 207.5
[M]- 396.27823 207.5
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.