CID 17396

2572-75-0

Structural Information

Molecular Formula
C18H20N2O
SMILES
C1COCCN1CCC(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H20N2O/c19-14-16(8-9-20-10-12-21-13-11-20)18-7-3-5-15-4-1-2-6-17(15)18/h1-7,16H,8-13H2
InChIKey
WHKRMZWZYJGMCN-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 165.7
[M+Na]+ 303.14678 172.7
[M-H]- 279.15028 169.1
[M+NH4]+ 298.19138 177.5
[M+K]+ 319.12072 166.2
[M+H-H2O]+ 263.15482 150.1
[M+HCOO]- 325.15576 178.1
[M+CH3COO]- 339.17141 174.0
[M+Na-2H]- 301.13223 169.9
[M]+ 280.15701 157.7
[M]- 280.15811 157.7
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

No patent data available for this compound.