CID 198971

Brn 2169809

Structural Information

Molecular Formula
C25H36N2O2
SMILES
CCN(CC)CC(CN(CC)CC)OC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C25H36N2O2/c1-5-26(6-2)19-23(20-27(7-3)8-4)29-25(28)24(21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23-24H,5-8,19-20H2,1-4H3
InChIKey
JQAZBWROCBBTEV-UHFFFAOYSA-N
Compound name
1,3-bis(diethylamino)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

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.28496 205.3
[M+Na]+ 419.26690 204.8
[M-H]- 395.27040 212.3
[M+NH4]+ 414.31150 215.9
[M+K]+ 435.24084 203.3
[M+H-H2O]+ 379.27494 194.6
[M+HCOO]- 441.27588 226.4
[M+CH3COO]- 455.29153 236.3
[M+Na-2H]- 417.25235 202.9
[M]+ 396.27713 209.3
[M]- 396.27823 209.3
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.