CID 3042219

Brn 2998329

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CCC1(C(=O)C2=CC=CC=C2C1=O)N(C)C(=O)CN(CC)CC
InChI
InChI=1S/C18H24N2O3/c1-5-18(19(4)15(21)12-20(6-2)7-3)16(22)13-10-8-9-11-14(13)17(18)23/h8-11H,5-7,12H2,1-4H3
InChIKey
KVFCJCLTTYMWAH-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17868 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.185956 174.5
[M+Na]+ 339.167898 180.9
[M-H]- 315.171404 181.5
[M+NH4]+ 334.212503 194.7
[M+K]+ 355.141838 179.8
[M+H-H2O]+ 299.175940 168.3
[M+HCOO]- 361.176881 198.4
[M+CH3COO]- 375.192531 219.7
[M+Na-2H]- 337.153346 175.4
[M]+ 316.17813142 179.7
[M]- 316.17922858 179.7
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.