CID 23162

6699-15-6

Structural Information

Molecular Formula
C21H29NO2
SMILES
CC(C)C(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)OC
InChI
InChI=1S/C21H29NO2/c1-16(2)21(20(23)24-5,14-9-15-22(3)4)19-13-8-11-17-10-6-7-12-18(17)19/h6-8,10-13,16H,9,14-15H2,1-5H3
InChIKey
OFOPKNIMFYKUPQ-UHFFFAOYSA-N
Compound name
methyl 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-ylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.21982 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.227096 183.0
[M+Na]+ 350.209038 186.8
[M-H]- 326.212544 187.7
[M+NH4]+ 345.253643 198.3
[M+K]+ 366.182978 184.7
[M+H-H2O]+ 310.217080 175.3
[M+HCOO]- 372.218021 201.8
[M+CH3COO]- 386.233671 218.8
[M+Na-2H]- 348.194486 185.3
[M]+ 327.21927142 187.1
[M]- 327.22036858 187.1
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.