CID 49083

78329-99-4

Structural Information

Molecular Formula
C18H29NO3
SMILES
CCN(CC)CC(C)(C)COC(=O)C1=CC=C(C=C1)OCC
InChI
InChI=1S/C18H29NO3/c1-6-19(7-2)13-18(4,5)14-22-17(20)15-9-11-16(12-10-15)21-8-3/h9-12H,6-8,13-14H2,1-5H3
InChIKey
GFUGJIQXJUTTMP-UHFFFAOYSA-N
Compound name
[3-(diethylamino)-2,2-dimethylpropyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.21475 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.22203 177.4
[M+Na]+ 330.20397 181.5
[M-H]- 306.20747 181.5
[M+NH4]+ 325.24857 192.8
[M+K]+ 346.17791 180.8
[M+H-H2O]+ 290.21201 170.0
[M+HCOO]- 352.21295 198.8
[M+CH3COO]- 366.22860 213.6
[M+Na-2H]- 328.18942 179.3
[M]+ 307.21420 183.9
[M]- 307.21530 183.9
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.