CID 5329273

Nsc650932

Structural Information

Molecular Formula
C20H17N3O
SMILES
CC(C1=CC=CC=C1)NC(=O)/C(=C/C2=CC3=C(C=C2)NC=C3)/C#N
InChI
InChI=1S/C20H17N3O/c1-14(16-5-3-2-4-6-16)23-20(24)18(13-21)12-15-7-8-19-17(11-15)9-10-22-19/h2-12,14,22H,1H3,(H,23,24)/b18-12+
InChIKey
YAKSTXXJGSXXCJ-LDADJPATSA-N
Compound name
(E)-2-cyano-3-(1H-indol-5-yl)-N-(1-phenylethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.13718 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14446 185.9
[M+Na]+ 338.12640 194.0
[M-H]- 314.12990 188.6
[M+NH4]+ 333.17100 198.2
[M+K]+ 354.10034 185.1
[M+H-H2O]+ 298.13444 170.5
[M+HCOO]- 360.13538 202.0
[M+CH3COO]- 374.15103 193.5
[M+Na-2H]- 336.11185 186.4
[M]+ 315.13663 178.7
[M]- 315.13773 178.7
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

No patent data available for this compound.