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

556
Patents

296.15247 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.159746 170.5
[M+Na]+ 319.141688 178.1
[M-H]- 295.145194 182.0
[M+NH4]+ 314.186293 188.3
[M+K]+ 335.115628 177.2
[M+H-H2O]+ 279.149730 162.8
[M+HCOO]- 341.150671 195.3
[M+CH3COO]- 355.166321 216.5
[M+Na-2H]- 317.127136 173.2
[M]+ 296.15192142 174.5
[M]- 296.15301858 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