CID 18120

2982-09-4

Structural Information

Molecular Formula
C19H22N2O
SMILES
CC(CCN1CCOCC1)(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C19H22N2O/c1-19(15-20,9-10-21-11-13-22-14-12-21)18-8-4-6-16-5-2-3-7-17(16)18/h2-8H,9-14H2,1H3
InChIKey
GAHYKZLSBRYVAW-UHFFFAOYSA-N
Compound name
2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 172.3
[M+Na]+ 317.16244 179.5
[M-H]- 293.16594 175.8
[M+NH4]+ 312.20704 183.8
[M+K]+ 333.13638 172.9
[M+H-H2O]+ 277.17048 156.9
[M+HCOO]- 339.17142 183.8
[M+CH3COO]- 353.18707 180.4
[M+Na-2H]- 315.14789 177.5
[M]+ 294.17267 164.7
[M]- 294.17377 164.7
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

patents stripe