CID 126731

142959-59-9

Structural Information

Molecular Formula
C13H15BrN2O2
SMILES
CC(=O)NCCC1=C(NC2=C1C=C(C=C2)OC)Br
InChI
InChI=1S/C13H15BrN2O2/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
FNHLXIXCQDGUCQ-UHFFFAOYSA-N
Compound name
N-[2-(2-bromo-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

107
Patents

310.03168 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.03896 163.3
[M+Na]+ 333.02090 175.3
[M-H]- 309.02440 168.5
[M+NH4]+ 328.06550 182.8
[M+K]+ 348.99484 163.0
[M+H-H2O]+ 293.02894 162.3
[M+HCOO]- 355.02988 183.8
[M+CH3COO]- 369.04553 201.5
[M+Na-2H]- 331.00635 168.4
[M]+ 310.03113 184.4
[M]- 310.03223 184.4
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