CID 3075931

129320-22-5

Structural Information

Molecular Formula
C18H27ClN2O5
SMILES
CN(C)CCOC(=O)CC(C(=O)OCCN(C)C)OC1=CC=C(C=C1)Cl
InChI
InChI=1S/C18H27ClN2O5/c1-20(2)9-11-24-17(22)13-16(18(23)25-12-10-21(3)4)26-15-7-5-14(19)6-8-15/h5-8,16H,9-13H2,1-4H3
InChIKey
JRDSDUUHWCYVPE-UHFFFAOYSA-N
Compound name
bis[2-(dimethylamino)ethyl] 2-(4-chlorophenoxy)butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.16086 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.16814 189.0
[M+Na]+ 409.15008 196.7
[M+NH4]+ 404.19468 193.5
[M+K]+ 425.12402 192.8
[M-H]- 385.15358 189.4
[M+Na-2H]- 407.13553 191.7
[M]+ 386.16031 190.0
[M]- 386.16141 190.0
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.