CID 117800

26479-97-0

Structural Information

Molecular Formula
C28H40N2O4
SMILES
CCN(CCOC(=O)CCCCC(=O)OCCN(CC)C1=CC=CC(=C1)C)C2=CC=CC(=C2)C
InChI
InChI=1S/C28H40N2O4/c1-5-29(25-13-9-11-23(3)21-25)17-19-33-27(31)15-7-8-16-28(32)34-20-18-30(6-2)26-14-10-12-24(4)22-26/h9-14,21-22H,5-8,15-20H2,1-4H3
InChIKey
GSGOXDRESSXNBM-UHFFFAOYSA-N
Compound name
bis[2-(N-ethyl-3-methylanilino)ethyl] hexanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.2988 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.30608 220.1
[M+Na]+ 491.28802 229.0
[M+NH4]+ 486.33262 224.5
[M+K]+ 507.26196 221.9
[M-H]- 467.29152 223.8
[M+Na-2H]- 489.27347 224.8
[M]+ 468.29825 222.1
[M]- 468.29935 222.1
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

patents stripe