CID 5388238

Nsc634114

Structural Information

Molecular Formula
C20H24N2O4
SMILES
CCOC(=O)C(=C/C=C/NCCC1=CNC2=CC=CC=C21)C(=O)OCC
InChI
InChI=1S/C20H24N2O4/c1-3-25-19(23)17(20(24)26-4-2)9-7-12-21-13-11-15-14-22-18-10-6-5-8-16(15)18/h5-10,12,14,21-22H,3-4,11,13H2,1-2H3/b12-7+
InChIKey
JHUDTGPPFHPYAF-KPKJPENVSA-N
Compound name
diethyl 2-[(E)-3-[2-(1H-indol-3-yl)ethylamino]prop-2-enylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.1736 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.18088 187.9
[M+Na]+ 379.16282 192.4
[M-H]- 355.16632 188.9
[M+NH4]+ 374.20742 200.9
[M+K]+ 395.13676 187.7
[M+H-H2O]+ 339.17086 179.7
[M+HCOO]- 401.17180 207.6
[M+CH3COO]- 415.18745 212.5
[M+Na-2H]- 377.14827 187.8
[M]+ 356.17305 191.5
[M]- 356.17415 191.5
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.