CID 14715

Butyronitrile, 4-morpholino-2-(2-morpholinoethyl)-2-phenyl-

Structural Information

Molecular Formula
C20H29N3O2
SMILES
C1COCCN1CCC(CCN2CCOCC2)(C#N)C3=CC=CC=C3
InChI
InChI=1S/C20H29N3O2/c21-18-20(19-4-2-1-3-5-19,6-8-22-10-14-24-15-11-22)7-9-23-12-16-25-17-13-23/h1-5H,6-17H2
InChIKey
FMAUXVWPDOEKAZ-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-phenylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.22598 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.233256 178.2
[M+Na]+ 366.215198 180.9
[M-H]- 342.218704 181.0
[M+NH4]+ 361.259803 183.5
[M+K]+ 382.189138 176.7
[M+H-H2O]+ 326.223240 160.4
[M+HCOO]- 388.224181 185.0
[M+CH3COO]- 402.239831 218.5
[M+Na-2H]- 364.200646 181.3
[M]+ 343.22543142 167.6
[M]- 343.22652858 167.6
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.