CID 363625

Nsc628654

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC(=O)C1=C(C2=C(N1)C=C(C=C2)OC)CCNC(=O)C
InChI
InChI=1S/C15H18N2O3/c1-9(18)15-13(6-7-16-10(2)19)12-5-4-11(20-3)8-14(12)17-15/h4-5,8,17H,6-7H2,1-3H3,(H,16,19)
InChIKey
WSFMBVMERJPLAV-UHFFFAOYSA-N
Compound name
N-[2-(2-acetyl-6-methoxy-1H-indol-3-yl)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 163.1
[M+Na]+ 297.120958 171.4
[M-H]- 273.124464 165.7
[M+NH4]+ 292.165563 180.3
[M+K]+ 313.094898 167.8
[M+H-H2O]+ 257.129000 156.4
[M+HCOO]- 319.129941 185.0
[M+CH3COO]- 333.145591 200.6
[M+Na-2H]- 295.106406 165.3
[M]+ 274.13119142 166.8
[M]- 274.13228858 166.8
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.