CID 379848

Nsc664980

Structural Information

Molecular Formula
C17H14N2O3
SMILES
COC1=CC2=C(C=C1)NC=C2C(=O)C(=O)N(CC#C)CC#C
InChI
InChI=1S/C17H14N2O3/c1-4-8-19(9-5-2)17(21)16(20)14-11-18-15-7-6-12(22-3)10-13(14)15/h1-2,6-7,10-11,18H,8-9H2,3H3
InChIKey
LNZRYGXFRSNOFT-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1H-indol-3-yl)-2-oxo-N,N-bis(prop-2-ynyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.10043 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 180.7
[M+Na]+ 317.08965 190.6
[M-H]- 293.09315 181.2
[M+NH4]+ 312.13425 190.6
[M+K]+ 333.06359 183.6
[M+H-H2O]+ 277.09769 164.5
[M+HCOO]- 339.09863 188.5
[M+CH3COO]- 353.11428 223.6
[M+Na-2H]- 315.07510 178.0
[M]+ 294.09988 173.7
[M]- 294.10098 173.7
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.