CID 5910162

Methyl 2-(formylamino)-3-(1h-indol-3-yl)acrylate

Structural Information

Molecular Formula
C13H12N2O3
SMILES
COC(=O)/C(=C/C1=CNC2=CC=CC=C21)/NC=O
InChI
InChI=1S/C13H12N2O3/c1-18-13(17)12(15-8-16)6-9-7-14-11-5-3-2-4-10(9)11/h2-8,14H,1H3,(H,15,16)/b12-6-
InChIKey
ZAHSXZHCAHDIKL-SDQBBNPISA-N
Compound name
methyl (Z)-2-formamido-3-(1H-indol-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 153.2
[M+Na]+ 267.07402 161.0
[M-H]- 243.07752 155.4
[M+NH4]+ 262.11862 171.0
[M+K]+ 283.04796 157.1
[M+H-H2O]+ 227.08206 146.3
[M+HCOO]- 289.08300 176.0
[M+CH3COO]- 303.09865 190.7
[M+Na-2H]- 265.05947 157.9
[M]+ 244.08425 154.6
[M]- 244.08535 154.6
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.