CID 115348

N-[2-(2-iodo-5-methoxy-1h-indol-3-yl)ethyl]acetamide

Structural Information

Molecular Formula
C13H15IN2O2
SMILES
CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)I
InChI
InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
InChIKey
FJDDSMSDZHURBJ-UHFFFAOYSA-N
Compound name
N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

268
References

606
Patents

358.01782 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.02510 165.4
[M+Na]+ 381.00704 167.2
[M-H]- 357.01054 160.9
[M+NH4]+ 376.05164 178.7
[M+K]+ 396.98098 169.1
[M+H-H2O]+ 341.01508 155.1
[M+HCOO]- 403.01602 183.0
[M+CH3COO]- 417.03167 202.9
[M+Na-2H]- 378.99249 157.3
[M]+ 358.01727 165.4
[M]- 358.01837 165.4
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