CID 25876

13326-38-0

Structural Information

Molecular Formula
C22H28N2O
SMILES
CC(C)C(CCCN1CCOCC1)(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H28N2O/c1-18(2)22(17-23,11-6-12-24-13-15-25-16-14-24)21-10-5-8-19-7-3-4-9-20(19)21/h3-5,7-10,18H,6,11-16H2,1-2H3
InChIKey
MVEGEKZTQWXRNO-UHFFFAOYSA-N
Compound name
5-morpholin-4-yl-2-naphthalen-1-yl-2-propan-2-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.22015 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.22743 189.1
[M+Na]+ 359.20937 200.9
[M+NH4]+ 354.25397 193.6
[M+K]+ 375.18331 189.7
[M-H]- 335.21287 186.6
[M+Na-2H]- 357.19482 191.9
[M]+ 336.21960 189.4
[M]- 336.22070 189.4
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.