CID 21725

Bis(p-methoxyphenyl)acetic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C22H29NO4
SMILES
CCN(CC)CCOC(=O)C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC
InChI
InChI=1S/C22H29NO4/c1-5-23(6-2)15-16-27-22(24)21(17-7-11-19(25-3)12-8-17)18-9-13-20(26-4)14-10-18/h7-14,21H,5-6,15-16H2,1-4H3
InChIKey
OKZPTMZAZRWZPW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2,2-bis(4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.20966 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.21694 192.7
[M+Na]+ 394.19888 196.2
[M-H]- 370.20238 199.7
[M+NH4]+ 389.24348 204.8
[M+K]+ 410.17282 194.8
[M+H-H2O]+ 354.20692 183.0
[M+HCOO]- 416.20786 214.8
[M+CH3COO]- 430.22351 224.8
[M+Na-2H]- 392.18433 192.2
[M]+ 371.20911 199.5
[M]- 371.21021 199.5
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.