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]+ 388.21184 194.7
[M+Na]+ 410.19378 198.2
[M-H]- 386.19728 200.5
[M+NH4]+ 405.23838 205.5
[M+K]+ 426.16772 196.8
[M+H-H2O]+ 370.20182 185.5
[M+HCOO]- 432.20276 214.9
[M+CH3COO]- 446.21841 224.1
[M+Na-2H]- 408.17923 196.2
[M]+ 387.20401 201.2
[M]- 387.20511 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.