CID 582669

2-chloro-n-[2-(1h-indol-3-yl)ethyl]acetamide

Structural Information

Molecular Formula
C12H13ClN2O
SMILES
C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CCl
InChI
InChI=1S/C12H13ClN2O/c13-7-12(16)14-6-5-9-8-15-11-4-2-1-3-10(9)11/h1-4,8,15H,5-7H2,(H,14,16)
InChIKey
VUOXPQXFKCXXFF-UHFFFAOYSA-N
Compound name
2-chloro-N-[2-(1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

236.07164 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.07892 151.2
[M+Na]+ 259.06086 160.1
[M-H]- 235.06436 153.1
[M+NH4]+ 254.10546 170.5
[M+K]+ 275.03480 154.1
[M+H-H2O]+ 219.06890 145.1
[M+HCOO]- 281.06984 169.8
[M+CH3COO]- 295.08549 188.6
[M+Na-2H]- 257.04631 156.9
[M]+ 236.07109 153.5
[M]- 236.07219 153.5
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