CID 6477356

Nsc646979

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCO/C(=C\C(=O)OC)/NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C16H20N2O3/c1-3-21-15(10-16(19)20-2)17-9-8-12-11-18-14-7-5-4-6-13(12)14/h4-7,10-11,17-18H,3,8-9H2,1-2H3/b15-10-
InChIKey
ZJUJROSICXHSHF-GDNBJRDFSA-N
Compound name
methyl (Z)-3-ethoxy-3-[2-(1H-indol-3-yl)ethylamino]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 168.2
[M+Na]+ 311.136618 174.2
[M-H]- 287.140124 169.7
[M+NH4]+ 306.181223 184.2
[M+K]+ 327.110558 170.3
[M+H-H2O]+ 271.144660 160.5
[M+HCOO]- 333.145601 189.7
[M+CH3COO]- 347.161251 200.4
[M+Na-2H]- 309.122066 171.2
[M]+ 288.14685142 171.2
[M]- 288.14794858 171.2
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.