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 176.8
[M+Na]+ 336.08740 186.8
[M-H]- 312.09090 180.9
[M+NH4]+ 331.13200 191.5
[M+K]+ 352.06134 177.6
[M+H-H2O]+ 296.09544 162.6
[M+HCOO]- 358.09638 189.2
[M+CH3COO]- 372.11203 185.7
[M+Na-2H]- 334.07285 177.6
[M]+ 313.09763 171.4
[M]- 313.09873 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.