CID 44209

Brn 1176046

Structural Information

Molecular Formula
C25H33N3O3
SMILES
C1COCCN1CC(CN2CCOCC2)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H33N3O3/c29-25(24(21-7-3-1-4-8-21)22-9-5-2-6-10-22)26-23(19-27-11-15-30-16-12-27)20-28-13-17-31-18-14-28/h1-10,23-24H,11-20H2,(H,26,29)
InChIKey
BQAKUALCRFWMQT-UHFFFAOYSA-N
Compound name
N-(1,3-dimorpholin-4-ylpropan-2-yl)-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.2522 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.25948 203.9
[M+Na]+ 446.24142 200.4
[M-H]- 422.24492 211.1
[M+NH4]+ 441.28602 205.2
[M+K]+ 462.21536 198.3
[M+H-H2O]+ 406.24946 190.3
[M+HCOO]- 468.25040 212.4
[M+CH3COO]- 482.26605 208.0
[M+Na-2H]- 444.22687 203.2
[M]+ 423.25165 195.6
[M]- 423.25275 195.6
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.