CID 14704

1238-65-9

Structural Information

Molecular Formula
C21H26N2O
SMILES
CC(C)C(CCN1CCOCC1)(C#N)C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C21H26N2O/c1-17(2)21(16-22,10-11-23-12-14-24-15-13-23)20-9-5-7-18-6-3-4-8-19(18)20/h3-9,17H,10-15H2,1-2H3
InChIKey
OGRZCCCGYFWIDL-UHFFFAOYSA-N
Compound name
3-methyl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.2045 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.21178 181.1
[M+Na]+ 345.19372 187.2
[M-H]- 321.19722 184.3
[M+NH4]+ 340.23832 191.4
[M+K]+ 361.16766 180.7
[M+H-H2O]+ 305.20176 165.5
[M+HCOO]- 367.20270 191.1
[M+CH3COO]- 381.21835 219.0
[M+Na-2H]- 343.17917 184.3
[M]+ 322.20395 173.5
[M]- 322.20505 173.5
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.