CID 210984

22019-31-4

Structural Information

Molecular Formula
C18H21NO2
SMILES
CCN(CC)CC#CCC1(C(=O)C2=CC=CC=C2C1=O)C
InChI
InChI=1S/C18H21NO2/c1-4-19(5-2)13-9-8-12-18(3)16(20)14-10-6-7-11-15(14)17(18)21/h6-7,10-11H,4-5,12-13H2,1-3H3
InChIKey
BQYXEMLSDORODW-UHFFFAOYSA-N
Compound name
2-[4-(diethylamino)but-2-ynyl]-2-methylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 170.2
[M+Na]+ 306.14645 181.1
[M-H]- 282.14995 174.2
[M+NH4]+ 301.19105 189.5
[M+K]+ 322.12039 173.9
[M+H-H2O]+ 266.15449 158.4
[M+HCOO]- 328.15543 187.6
[M+CH3COO]- 342.17108 212.2
[M+Na-2H]- 304.13190 171.2
[M]+ 283.15668 168.1
[M]- 283.15778 168.1
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

No patent data available for this compound.