CID 42980

Brn 2981307

Structural Information

Molecular Formula
C14H15NO3
SMILES
CCC1(C(=O)C2=CC=CC=C2C1=O)N(C)C(=O)C
InChI
InChI=1S/C14H15NO3/c1-4-14(15(3)9(2)16)12(17)10-7-5-6-8-11(10)13(14)18/h5-8H,4H2,1-3H3
InChIKey
GQCZPJDPNVMVGV-UHFFFAOYSA-N
Compound name
N-(2-ethyl-1,3-dioxoinden-2-yl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1052 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.11248 152.2
[M+Na]+ 268.09442 161.3
[M-H]- 244.09792 158.8
[M+NH4]+ 263.13902 175.3
[M+K]+ 284.06836 159.6
[M+H-H2O]+ 228.10246 147.3
[M+HCOO]- 290.10340 176.1
[M+CH3COO]- 304.11905 199.2
[M+Na-2H]- 266.07987 155.5
[M]+ 245.10465 155.6
[M]- 245.10575 155.6
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.