CID 5470540

Nsc702983

Structural Information

Molecular Formula
C26H30N2O8
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)NCC(C(=O)OC)NC(=O)/C=C/C2=CC(=C(C=C2)OC)OC)OC
InChI
InChI=1S/C26H30N2O8/c1-32-20-10-6-17(14-22(20)34-3)8-12-24(29)27-16-19(26(31)36-5)28-25(30)13-9-18-7-11-21(33-2)23(15-18)35-4/h6-15,19H,16H2,1-5H3,(H,27,29)(H,28,30)/b12-8+,13-9+
InChIKey
NFZFVFAKLQJGNO-QHKWOANTSA-N
Compound name
methyl 2,3-bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

498.20023 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.20751 218.7
[M+Na]+ 521.18945 220.8
[M-H]- 497.19295 224.3
[M+NH4]+ 516.23405 224.3
[M+K]+ 537.16339 219.9
[M+H-H2O]+ 481.19749 208.1
[M+HCOO]- 543.19843 239.3
[M+CH3COO]- 557.21408 246.3
[M+Na-2H]- 519.17490 214.7
[M]+ 498.19968 226.9
[M]- 498.20078 226.9
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.