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]+ 337.227426 185.0
[M+Na]+ 359.209368 190.7
[M-H]- 335.212874 188.1
[M+NH4]+ 354.253973 194.8
[M+K]+ 375.183308 184.0
[M+H-H2O]+ 319.217410 169.2
[M+HCOO]- 381.218351 194.7
[M+CH3COO]- 395.234001 221.7
[M+Na-2H]- 357.194816 187.7
[M]+ 336.21960142 177.7
[M]- 336.22069858 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.