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]+ 289.15468 168.2
[M+Na]+ 311.13662 174.2
[M-H]- 287.14012 169.7
[M+NH4]+ 306.18122 184.2
[M+K]+ 327.11056 170.3
[M+H-H2O]+ 271.14466 160.5
[M+HCOO]- 333.14560 189.7
[M+CH3COO]- 347.16125 200.4
[M+Na-2H]- 309.12207 171.2
[M]+ 288.14685 171.2
[M]- 288.14795 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.