CID 93693

Einecs 260-778-4

Structural Information

Molecular Formula
C18H20N2O2
SMILES
CN(C)C1=CC=C(C=C1)C2C3=C(C=C(C=C3)N(C)C)C(=O)O2
InChI
InChI=1S/C18H20N2O2/c1-19(2)13-7-5-12(6-8-13)17-15-10-9-14(20(3)4)11-16(15)18(21)22-17/h5-11,17H,1-4H3
InChIKey
TYIHCISAZQHKHT-UHFFFAOYSA-N
Compound name
6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

577
Patents

296.15247 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 170.5
[M+Na]+ 319.14169 178.1
[M-H]- 295.14519 182.0
[M+NH4]+ 314.18629 188.3
[M+K]+ 335.11563 177.2
[M+H-H2O]+ 279.14973 162.8
[M+HCOO]- 341.15067 195.3
[M+CH3COO]- 355.16632 216.5
[M+Na-2H]- 317.12714 173.2
[M]+ 296.15192 174.5
[M]- 296.15302 174.5
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

patents stripe