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]+ 439.29552 212.4
[M+Na]+ 461.27746 209.3
[M-H]- 437.28096 219.4
[M+NH4]+ 456.32206 217.2
[M+K]+ 477.25140 208.6
[M+H-H2O]+ 421.28550 200.6
[M+HCOO]- 483.28644 224.2
[M+CH3COO]- 497.30209 237.4
[M+Na-2H]- 459.26291 207.8
[M]+ 438.28769 210.9
[M]- 438.28879 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.