CID 31484

22684-77-1

Structural Information

Molecular Formula
C18H29NO4
SMILES
CCCCOC1=C(C=CC=C1OC)C(=O)OCCN(CC)CC
InChI
InChI=1S/C18H29NO4/c1-5-8-13-22-17-15(10-9-11-16(17)21-4)18(20)23-14-12-19(6-2)7-3/h9-11H,5-8,12-14H2,1-4H3
InChIKey
AFZPMFFKUZAFPS-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-butoxy-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20966 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.21694 180.4
[M+Na]+ 346.19888 184.8
[M-H]- 322.20238 184.4
[M+NH4]+ 341.24348 195.2
[M+K]+ 362.17282 184.3
[M+H-H2O]+ 306.20692 172.2
[M+HCOO]- 368.20786 203.5
[M+CH3COO]- 382.22351 216.4
[M+Na-2H]- 344.18433 180.7
[M]+ 323.20911 189.2
[M]- 323.21021 189.2
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.