CID 5279811

Schembl12828728

Structural Information

Molecular Formula
C23H19N3O2
SMILES
C1CN(CCC1=C(C#N)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C23H19N3O2/c24-14-19(16-6-2-1-3-7-16)17-10-12-26(13-11-17)23(28)22(27)20-15-25-21-9-5-4-8-18(20)21/h1-9,15,25H,10-13H2
InChIKey
BHDYDQAJSMAVLH-UHFFFAOYSA-N
Compound name
2-[1-[2-(1H-indol-3-yl)-2-oxoacetyl]piperidin-4-ylidene]-2-phenylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

369.14774 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15502 195.6
[M+Na]+ 392.13696 202.7
[M-H]- 368.14046 198.7
[M+NH4]+ 387.18156 204.1
[M+K]+ 408.11090 192.1
[M+H-H2O]+ 352.14500 178.6
[M+HCOO]- 414.14594 206.1
[M+CH3COO]- 428.16159 201.4
[M+Na-2H]- 390.12241 193.2
[M]+ 369.14719 185.1
[M]- 369.14829 185.1
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