CID 28819442

2-chloro-n-(3-cyano-1-phenyl-4,5,6,7-tetrahydro-1h-indol-2-yl)acetamide

Structural Information

Molecular Formula
C17H16ClN3O
SMILES
C1CCC2=C(C1)C(=C(N2C3=CC=CC=C3)NC(=O)CCl)C#N
InChI
InChI=1S/C17H16ClN3O/c18-10-16(22)20-17-14(11-19)13-8-4-5-9-15(13)21(17)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-10H2,(H,20,22)
InChIKey
XVIVXXDZTUSOJT-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.09818 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.10546 174.4
[M+Na]+ 336.08740 186.5
[M+NH4]+ 331.13200 179.3
[M+K]+ 352.06134 176.8
[M-H]- 312.09090 170.9
[M+Na-2H]- 334.07285 177.5
[M]+ 313.09763 174.5
[M]- 313.09873 174.5
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

No patent data available for this compound.