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]+ 281.164836 165.7
[M+Na]+ 303.146778 172.7
[M-H]- 279.150284 169.1
[M+NH4]+ 298.191383 177.5
[M+K]+ 319.120718 166.2
[M+H-H2O]+ 263.154820 150.1
[M+HCOO]- 325.155761 178.1
[M+CH3COO]- 339.171411 174.0
[M+Na-2H]- 301.132226 169.9
[M]+ 280.15701142 157.7
[M]- 280.15810858 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.