CID 54130

78128-83-3

Structural Information

Molecular Formula
C15H20N2O2
SMILES
CC1=C(COC1=O)N(CCN(C)C)C2=CC=CC=C2
InChI
InChI=1S/C15H20N2O2/c1-12-14(11-19-15(12)18)17(10-9-16(2)3)13-7-5-4-6-8-13/h4-8H,9-11H2,1-3H3
InChIKey
LIODHYNFRBYEPX-UHFFFAOYSA-N
Compound name
3-[N-[2-(dimethylamino)ethyl]anilino]-4-methyl-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.15247 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.15975 162.2
[M+Na]+ 283.14169 167.9
[M-H]- 259.14519 172.3
[M+NH4]+ 278.18629 180.1
[M+K]+ 299.11563 168.2
[M+H-H2O]+ 243.14973 154.4
[M+HCOO]- 305.15067 188.3
[M+CH3COO]- 319.16632 207.5
[M+Na-2H]- 281.12714 164.9
[M]+ 260.15192 165.6
[M]- 260.15302 165.6
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.