CID 18561

3209-86-7

Structural Information

Molecular Formula
C22H29NO3
SMILES
CN(C)CCOC(=O)C(CC1CCCO1)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H29NO3/c1-23(2)12-14-26-22(24)19(16-20-10-6-13-25-20)15-18-9-5-8-17-7-3-4-11-21(17)18/h3-5,7-9,11,19-20H,6,10,12-16H2,1-2H3
InChIKey
WPQOOWXLKSEHBY-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.222026 190.2
[M+Na]+ 378.203968 192.2
[M-H]- 354.207474 198.0
[M+NH4]+ 373.248573 204.0
[M+K]+ 394.177908 190.7
[M+H-H2O]+ 338.212010 181.6
[M+HCOO]- 400.212951 208.8
[M+CH3COO]- 414.228601 219.8
[M+Na-2H]- 376.189416 189.6
[M]+ 355.21420142 192.3
[M]- 355.21529858 192.3
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.