CID 301835

Alpha-(3-methyl-2-butenyl)-alpha-1-naphthalenyl-4-morpholinebutanenitrile monohydrochloride

Structural Information

Molecular Formula
C23H28N2O
SMILES
CC(=CCC(CCN1CCOCC1)(C#N)C2=CC=CC3=CC=CC=C32)C
InChI
InChI=1S/C23H28N2O/c1-19(2)10-11-23(18-24,12-13-25-14-16-26-17-15-25)22-9-5-7-20-6-3-4-8-21(20)22/h3-10H,11-17H2,1-2H3
InChIKey
HAWDCYJWAOLQSX-UHFFFAOYSA-N
Compound name
5-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylhex-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.22015 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22743 192.9
[M+Na]+ 371.20937 204.6
[M+NH4]+ 366.25397 197.0
[M+K]+ 387.18331 193.0
[M-H]- 347.21287 190.1
[M+Na-2H]- 369.19482 195.3
[M]+ 348.21960 193.0
[M]- 348.22070 193.0
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.