CID 246851

2-cyano-3-(1h-indol-3-yl)prop-2-enamide

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

10
References

17
Patents

211.07455 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08183 151.2
[M+Na]+ 234.06377 161.5
[M+NH4]+ 229.10837 154.8
[M+K]+ 250.03771 154.3
[M-H]- 210.06727 144.6
[M+Na-2H]- 232.04922 153.1
[M]+ 211.07400 149.6
[M]- 211.07510 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe