CID 75286

2276-89-3

Structural Information

Molecular Formula
C22H29NO5
SMILES
CCN(CC)CCOC(=O)C(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)O
InChI
InChI=1S/C22H29NO5/c1-5-23(6-2)15-16-28-21(24)22(25,17-7-11-19(26-3)12-8-17)18-9-13-20(27-4)14-10-18/h7-14,25H,5-6,15-16H2,1-4H3
InChIKey
VVZAOLSLRQWHDQ-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.20456 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.211836 194.7
[M+Na]+ 410.193778 198.2
[M-H]- 386.197284 200.5
[M+NH4]+ 405.238383 205.5
[M+K]+ 426.167718 196.8
[M+H-H2O]+ 370.201820 185.5
[M+HCOO]- 432.202761 214.9
[M+CH3COO]- 446.218411 224.1
[M+Na-2H]- 408.179226 196.2
[M]+ 387.20401142 201.2
[M]- 387.20510858 201.2
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.