CID 3046642

Brn 1171637

Structural Information

Molecular Formula
C27H38N2O3
SMILES
CC(C)N(CC(CN1CCOCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C(C)C
InChI
InChI=1S/C27H38N2O3/c1-21(2)29(22(3)4)20-25(19-28-15-17-31-18-16-28)32-27(30)26(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-14,21-22,25-26H,15-20H2,1-4H3
InChIKey
PAAKDKIDNLVJPG-UHFFFAOYSA-N
Compound name
[1-[di(propan-2-yl)amino]-3-morpholin-4-ylpropan-2-yl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.28824 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.295516 212.4
[M+Na]+ 461.277458 209.3
[M-H]- 437.280964 219.4
[M+NH4]+ 456.322063 217.2
[M+K]+ 477.251398 208.6
[M+H-H2O]+ 421.285500 200.6
[M+HCOO]- 483.286441 224.2
[M+CH3COO]- 497.302091 237.4
[M+Na-2H]- 459.262906 207.8
[M]+ 438.28769142 210.9
[M]- 438.28878858 210.9
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.