CID 26977

14938-53-5

Structural Information

Molecular Formula
C26H37NO2
SMILES
CC(C)C(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)OC3CCCCC3
InChI
InChI=1S/C26H37NO2/c1-20(2)26(18-11-19-27(3)4,25(28)29-22-14-6-5-7-15-22)24-17-10-13-21-12-8-9-16-23(21)24/h8-10,12-13,16-17,20,22H,5-7,11,14-15,18-19H2,1-4H3
InChIKey
AEVGXZZTAMVZAL-UHFFFAOYSA-N
Compound name
cyclohexyl 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.28244 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.28972 201.3
[M+Na]+ 418.27166 200.9
[M-H]- 394.27516 207.2
[M+NH4]+ 413.31626 212.8
[M+K]+ 434.24560 197.8
[M+H-H2O]+ 378.27970 191.8
[M+HCOO]- 440.28064 215.3
[M+CH3COO]- 454.29629 230.5
[M+Na-2H]- 416.25711 200.6
[M]+ 395.28189 200.0
[M]- 395.28299 200.0
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.