CID 12248889

Paprotrain

Structural Information

Molecular Formula
C16H11N3
SMILES
C1=CC=C2C(=C1)C(=CN2)/C(=C/C3=CN=CC=C3)/C#N
InChI
InChI=1S/C16H11N3/c17-9-13(8-12-4-3-7-18-10-12)15-11-19-16-6-2-1-5-14(15)16/h1-8,10-11,19H/b13-8+
InChIKey
YMYYQRZCCKBFBE-MDWZMJQESA-N
Compound name
(Z)-2-(1H-indol-3-yl)-3-pyridin-3-ylprop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

68
Patents

245.09529 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.10257 161.8
[M+Na]+ 268.08451 172.6
[M-H]- 244.08801 163.5
[M+NH4]+ 263.12911 176.0
[M+K]+ 284.05845 163.4
[M+H-H2O]+ 228.09255 146.1
[M+HCOO]- 290.09349 178.5
[M+CH3COO]- 304.10914 171.3
[M+Na-2H]- 266.06996 166.3
[M]+ 245.09474 155.0
[M]- 245.09584 155.0
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