CID 14713

1241-65-2

Structural Information

Molecular Formula
C22H28N2O
SMILES
CCC(C)C(CCN1CCOCC1)(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H28N2O/c1-3-18(2)22(17-23,11-12-24-13-15-25-16-14-24)21-10-6-8-19-7-4-5-9-20(19)21/h4-10,18H,3,11-16H2,1-2H3
InChIKey
VNUYADCWVCUHBG-UHFFFAOYSA-N
Compound name
3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylpentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.22015 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.22743 185.0
[M+Na]+ 359.20937 190.7
[M-H]- 335.21287 188.1
[M+NH4]+ 354.25397 194.8
[M+K]+ 375.18331 184.0
[M+H-H2O]+ 319.21741 169.2
[M+HCOO]- 381.21835 194.7
[M+CH3COO]- 395.23400 221.7
[M+Na-2H]- 357.19482 187.7
[M]+ 336.21960 177.7
[M]- 336.22070 177.7
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.