CID 14715

1241-77-6

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]+ 344.23326 178.2
[M+Na]+ 366.21520 180.9
[M-H]- 342.21870 181.0
[M+NH4]+ 361.25980 183.5
[M+K]+ 382.18914 176.7
[M+H-H2O]+ 326.22324 160.4
[M+HCOO]- 388.22418 185.0
[M+CH3COO]- 402.23983 218.5
[M+Na-2H]- 364.20065 181.3
[M]+ 343.22543 167.6
[M]- 343.22653 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.