CID 3023214

Ethyl 3-(5-bromo-1h-indol-3-yl)-2-cyano-2-propenoate

Structural Information

Molecular Formula
C14H11BrN2O2
SMILES
CCOC(=O)C(=CC1=CNC2=C1C=C(C=C2)Br)C#N
InChI
InChI=1S/C14H11BrN2O2/c1-2-19-14(18)9(7-16)5-10-8-17-13-4-3-11(15)6-12(10)13/h3-6,8,17H,2H2,1H3
InChIKey
WMWQSIMSDYVHMD-UHFFFAOYSA-N
Compound name
ethyl 3-(5-bromo-1H-indol-3-yl)-2-cyanoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.0004 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.00768 167.3
[M+Na]+ 340.98962 181.0
[M-H]- 316.99312 169.9
[M+NH4]+ 336.03422 184.2
[M+K]+ 356.96356 167.0
[M+H-H2O]+ 300.99766 159.4
[M+HCOO]- 362.99860 184.6
[M+CH3COO]- 377.01425 209.1
[M+Na-2H]- 338.97507 170.3
[M]+ 317.99985 180.4
[M]- 318.00095 180.4
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.