CID 44145399

97338-02-8

Structural Information

Molecular Formula
C23H26N2O6
SMILES
CCOC(=O)[C@H](CC1=CC=C(C=C1)N(CCO)CCO)N2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C23H26N2O6/c1-2-31-23(30)20(25-21(28)18-5-3-4-6-19(18)22(25)29)15-16-7-9-17(10-8-16)24(11-13-26)12-14-27/h3-10,20,26-27H,2,11-15H2,1H3/t20-/m0/s1
InChIKey
UZDFVDMFIZDHRK-FQEVSTJZSA-N
Compound name
ethyl (2S)-3-[4-[bis(2-hydroxyethyl)amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

426.17908 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.186356 200.7
[M+Na]+ 449.168298 204.5
[M-H]- 425.171804 205.2
[M+NH4]+ 444.212903 210.4
[M+K]+ 465.142238 201.6
[M+H-H2O]+ 409.176340 191.8
[M+HCOO]- 471.177281 217.8
[M+CH3COO]- 485.192931 229.2
[M+Na-2H]- 447.153746 198.2
[M]+ 426.17853142 205.0
[M]- 426.17962858 205.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe