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]+ 275.13902 163.1
[M+Na]+ 297.12096 171.4
[M-H]- 273.12446 165.7
[M+NH4]+ 292.16556 180.3
[M+K]+ 313.09490 167.8
[M+H-H2O]+ 257.12900 156.4
[M+HCOO]- 319.12994 185.0
[M+CH3COO]- 333.14559 200.6
[M+Na-2H]- 295.10641 165.3
[M]+ 274.13119 166.8
[M]- 274.13229 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.