CID 208487

T 2433

Structural Information

Molecular Formula
C19H31NO3
SMILES
CCN(CC)CCCOC(=O)COC1=C(C=CC(=C1)C)C(C)C
InChI
InChI=1S/C19H31NO3/c1-6-20(7-2)11-8-12-22-19(21)14-23-18-13-16(5)9-10-17(18)15(3)4/h9-10,13,15H,6-8,11-12,14H2,1-5H3
InChIKey
COWYHLPWAFVPET-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2304 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.23768 182.3
[M+Na]+ 344.21962 186.3
[M-H]- 320.22312 186.3
[M+NH4]+ 339.26422 197.3
[M+K]+ 360.19356 185.4
[M+H-H2O]+ 304.22766 174.4
[M+HCOO]- 366.22860 203.9
[M+CH3COO]- 380.24425 218.2
[M+Na-2H]- 342.20507 180.8
[M]+ 321.22985 189.4
[M]- 321.23095 189.4
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.