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]+ 317.18596 174.5
[M+Na]+ 339.16790 180.9
[M-H]- 315.17140 181.5
[M+NH4]+ 334.21250 194.7
[M+K]+ 355.14184 179.8
[M+H-H2O]+ 299.17594 168.3
[M+HCOO]- 361.17688 198.4
[M+CH3COO]- 375.19253 219.7
[M+Na-2H]- 337.15335 175.4
[M]+ 316.17813 179.7
[M]- 316.17923 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.