CID 25875

13326-37-9

Structural Information

Molecular Formula
C19H22N2O
SMILES
C1COCCN1CCCC(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H22N2O/c20-15-17(7-4-10-21-11-13-22-14-12-21)19-9-3-6-16-5-1-2-8-18(16)19/h1-3,5-6,8-9,17H,4,7,10-14H2
InChIKey
REAMLHVXFBJQJS-UHFFFAOYSA-N
Compound name
5-morpholin-4-yl-2-naphthalen-1-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 169.6
[M+Na]+ 317.16244 176.3
[M-H]- 293.16594 172.9
[M+NH4]+ 312.20704 180.9
[M+K]+ 333.13638 169.5
[M+H-H2O]+ 277.17048 153.8
[M+HCOO]- 339.17142 181.7
[M+CH3COO]- 353.18707 177.6
[M+Na-2H]- 315.14789 173.4
[M]+ 294.17267 161.9
[M]- 294.17377 161.9
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.