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]+ 324.12303 174.9
[M+Na]+ 346.10497 182.9
[M-H]- 322.10847 185.0
[M+NH4]+ 341.14957 191.0
[M+K]+ 362.07891 181.1
[M+H-H2O]+ 306.11301 167.5
[M+HCOO]- 368.11395 197.6
[M+CH3COO]- 382.12960 213.5
[M+Na-2H]- 344.09042 176.4
[M]+ 323.11520 179.4
[M]- 323.11630 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.