CID 1523065

1613190-07-0

Structural Information

Molecular Formula
C17H15NO3
SMILES
CN(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)O
InChI
InChI=1S/C17H15NO3/c1-18(2)12-5-3-11(4-6-12)9-16-17(20)14-8-7-13(19)10-15(14)21-16/h3-10,19H,1-2H3/b16-9-
InChIKey
XWVDODMZYGXNEU-SXGWCWSVSA-N
Compound name
(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-6-hydroxy-1-benzofuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

281.1052 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11248 163.6
[M+Na]+ 304.09442 172.3
[M-H]- 280.09792 172.6
[M+NH4]+ 299.13902 181.0
[M+K]+ 320.06836 169.4
[M+H-H2O]+ 264.10246 156.9
[M+HCOO]- 326.10340 186.2
[M+CH3COO]- 340.11905 203.4
[M+Na-2H]- 302.07987 166.8
[M]+ 281.10465 165.6
[M]- 281.10575 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

literature stripe

Patent stripe

patents stripe