CID 6913708

Rm 39

Structural Information

Molecular Formula
C23H28ClNO5
SMILES
CCN(CC)CCOC(=O)/C(=C/C1=CC(=C(C=C1)OC)OC)/OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C23H28ClNO5/c1-5-25(6-2)13-14-29-23(26)22(30-19-10-8-18(24)9-11-19)16-17-7-12-20(27-3)21(15-17)28-4/h7-12,15-16H,5-6,13-14H2,1-4H3/b22-16-
InChIKey
RGFDVZTWXPKYKS-JWGURIENSA-N
Compound name
2-(diethylamino)ethyl (Z)-2-(4-chlorophenoxy)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1656 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.17288 203.9
[M+Na]+ 456.15482 208.9
[M-H]- 432.15832 211.1
[M+NH4]+ 451.19942 214.6
[M+K]+ 472.12876 205.8
[M+H-H2O]+ 416.16286 195.0
[M+HCOO]- 478.16380 221.7
[M+CH3COO]- 492.17945 233.0
[M+Na-2H]- 454.14027 202.1
[M]+ 433.16505 214.6
[M]- 433.16615 214.6
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.