CID 14734

1251-31-6

Structural Information

Molecular Formula
C24H31N3O2
SMILES
C1COCCN1CCC(CCN2CCOCC2)(C#N)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H31N3O2/c25-20-24(8-10-26-12-16-28-17-13-26,9-11-27-14-18-29-19-15-27)23-7-3-5-21-4-1-2-6-22(21)23/h1-7H,8-19H2
InChIKey
LXZKOQFDJOEMNI-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.24164 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.24892 206.7
[M+Na]+ 416.23086 218.2
[M+NH4]+ 411.27546 210.3
[M+K]+ 432.20480 206.7
[M-H]- 392.23436 206.1
[M+Na-2H]- 414.21631 208.8
[M]+ 393.24109 207.4
[M]- 393.24219 207.4
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.