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]+ 314.105456 176.8
[M+Na]+ 336.087398 186.8
[M-H]- 312.090904 180.9
[M+NH4]+ 331.132003 191.5
[M+K]+ 352.061338 177.6
[M+H-H2O]+ 296.095440 162.6
[M+HCOO]- 358.096381 189.2
[M+CH3COO]- 372.112031 185.7
[M+Na-2H]- 334.072846 177.6
[M]+ 313.09763142 171.4
[M]- 313.09872858 171.4
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.