CID 21665

Iem 457

Structural Information

Molecular Formula
C23H31NO4
SMILES
CCN(CC)CC(C)OC(=O)C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC
InChI
InChI=1S/C23H31NO4/c1-6-24(7-2)16-17(3)28-23(25)22(18-8-12-20(26-4)13-9-18)19-10-14-21(27-5)15-11-19/h8-15,17,22H,6-7,16H2,1-5H3
InChIKey
IPSULKCWMCAGSM-UHFFFAOYSA-N
Compound name
1-(diethylamino)propan-2-yl 2,2-bis(4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.2253 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.23258 195.1
[M+Na]+ 408.21452 205.9
[M+NH4]+ 403.25912 201.0
[M+K]+ 424.18846 199.9
[M-H]- 384.21802 198.6
[M+Na-2H]- 406.19997 201.0
[M]+ 385.22475 197.5
[M]- 385.22585 197.5
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.