CID 15957879

Methyl (2s)-2,6-bis[[(e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]hexanoate

Structural Information

Molecular Formula
C31H40N2O10
SMILES
COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)NCCCC[C@@H](C(=O)OC)NC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C31H40N2O10/c1-37-23-16-20(17-24(38-2)29(23)41-5)11-13-27(34)32-15-9-8-10-22(31(36)43-7)33-28(35)14-12-21-18-25(39-3)30(42-6)26(19-21)40-4/h11-14,16-19,22H,8-10,15H2,1-7H3,(H,32,34)(H,33,35)/b13-11+,14-12+/t22-/m0/s1
InChIKey
GIDIMEBKYSOERX-IZLLDPINSA-N
Compound name
methyl (2S)-2,6-bis[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

600.2683 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.27558 243.2
[M+Na]+ 623.25752 244.0
[M-H]- 599.26102 248.4
[M+NH4]+ 618.30212 244.3
[M+K]+ 639.23146 244.4
[M+H-H2O]+ 583.26556 231.6
[M+HCOO]- 645.26650 247.4
[M+CH3COO]- 659.28215 267.6
[M+Na-2H]- 621.24297 236.3
[M]+ 600.26775 256.5
[M]- 600.26885 256.5
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

No patent data available for this compound.