CID 5467629

Nsc657014

Structural Information

Molecular Formula
C19H17NO4
SMILES
CC(=O)OC1=CC2=C(C=C1)C(=O)/C(=C/C3=CC=C(C=C3)N(C)C)/O2
InChI
InChI=1S/C19H17NO4/c1-12(21)23-15-8-9-16-17(11-15)24-18(19(16)22)10-13-4-6-14(7-5-13)20(2)3/h4-11H,1-3H3/b18-10-
InChIKey
WQOVTXHVIUZZLJ-ZDLGFXPLSA-N
Compound name
[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]-3-oxo-1-benzofuran-6-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11575 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.123026 174.9
[M+Na]+ 346.104968 182.9
[M-H]- 322.108474 185.0
[M+NH4]+ 341.149573 191.0
[M+K]+ 362.078908 181.1
[M+H-H2O]+ 306.113010 167.5
[M+HCOO]- 368.113951 197.6
[M+CH3COO]- 382.129601 213.5
[M+Na-2H]- 344.090416 176.4
[M]+ 323.11520142 179.4
[M]- 323.11629858 179.4
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.