CID 58557

Brn 0232980

Structural Information

Molecular Formula
C16H20N2O2
SMILES
CCCCN1C=C(C2=CC=CC=C21)C(=O)C(=O)N(C)C
InChI
InChI=1S/C16H20N2O2/c1-4-5-10-18-11-13(15(19)16(20)17(2)3)12-8-6-7-9-14(12)18/h6-9,11H,4-5,10H2,1-3H3
InChIKey
WFVXAWZGFNSGFB-UHFFFAOYSA-N
Compound name
2-(1-butylindol-3-yl)-N,N-dimethyl-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

272.15247 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.15975 164.8
[M+Na]+ 295.14169 172.5
[M-H]- 271.14519 169.7
[M+NH4]+ 290.18629 183.2
[M+K]+ 311.11563 170.2
[M+H-H2O]+ 255.14973 157.3
[M+HCOO]- 317.15067 188.1
[M+CH3COO]- 331.16632 206.1
[M+Na-2H]- 293.12714 166.8
[M]+ 272.15192 170.1
[M]- 272.15302 170.1
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

patents stripe