CID 1715188

(2z)-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)/b8-5-
InChIKey
NLJUQIIPXVMEAA-YVMONPNESA-N
Compound name
(Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

249
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 154.3
[M+Na]+ 234.06377 164.4
[M-H]- 210.06727 155.1
[M+NH4]+ 229.10837 170.9
[M+K]+ 250.03771 158.1
[M+H-H2O]+ 194.07181 140.7
[M+HCOO]- 256.07275 172.2
[M+CH3COO]- 270.08840 197.3
[M+Na-2H]- 232.04922 157.1
[M]+ 211.07400 146.9
[M]- 211.07510 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

patents stripe