CID 40272

Acetanilide, 2-indol-3-yl-

Structural Information

Molecular Formula
C16H14N2O
SMILES
C1=CC=C(C=C1)NC(=O)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H14N2O/c19-16(18-13-6-2-1-3-7-13)10-12-11-17-15-9-5-4-8-14(12)15/h1-9,11,17H,10H2,(H,18,19)
InChIKey
WGJQECCUBXMMOE-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

250.11061 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11789 155.2
[M+Na]+ 273.09983 163.0
[M-H]- 249.10333 160.6
[M+NH4]+ 268.14443 172.6
[M+K]+ 289.07377 157.2
[M+H-H2O]+ 233.10787 147.3
[M+HCOO]- 295.10881 178.7
[M+CH3COO]- 309.12446 167.3
[M+Na-2H]- 271.08528 161.9
[M]+ 250.11006 154.4
[M]- 250.11116 154.4
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

patents stripe