CID 246851

Alpha-cyano-3-indoleacrylamide

Structural Information

Molecular Formula
C12H9N3O
SMILES
C1=CC=C2C(=C1)C(=CN2)C=C(C#N)C(=O)N
InChI
InChI=1S/C12H9N3O/c13-6-8(12(14)16)5-9-7-15-11-4-2-1-3-10(9)11/h1-5,7,15H,(H2,14,16)
InChIKey
NLJUQIIPXVMEAA-UHFFFAOYSA-N
Compound name
2-cyano-3-(1H-indol-3-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

211.07455 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.081826 154.3
[M+Na]+ 234.063768 164.4
[M-H]- 210.067274 155.1
[M+NH4]+ 229.108373 170.9
[M+K]+ 250.037708 158.1
[M+H-H2O]+ 194.071810 140.7
[M+HCOO]- 256.072751 172.2
[M+CH3COO]- 270.088401 197.3
[M+Na-2H]- 232.049216 157.1
[M]+ 211.07400142 146.9
[M]- 211.07509858 146.9
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.