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]+ 356.22203 190.2
[M+Na]+ 378.20397 192.2
[M-H]- 354.20747 198.0
[M+NH4]+ 373.24857 204.0
[M+K]+ 394.17791 190.7
[M+H-H2O]+ 338.21201 181.6
[M+HCOO]- 400.21295 208.8
[M+CH3COO]- 414.22860 219.8
[M+Na-2H]- 376.18942 189.6
[M]+ 355.21420 192.3
[M]- 355.21530 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.