CID 5467968

Nsc661192

Structural Information

Molecular Formula
C19H20N2O4
SMILES
COC1=C(C=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCC(=N)N)OC
InChI
InChI=1S/C19H20N2O4/c1-23-17-10-6-14(11-18(17)24-2)16(22)9-5-13-3-7-15(8-4-13)25-12-19(20)21/h3-11H,12H2,1-2H3,(H3,20,21)/b9-5+
InChIKey
OJHRQGQGFMCKSK-WEVVVXLNSA-N
Compound name
2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenoxy]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.1423 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.14958 180.6
[M+Na]+ 363.13152 185.8
[M-H]- 339.13502 186.6
[M+NH4]+ 358.17612 192.8
[M+K]+ 379.10546 182.3
[M+H-H2O]+ 323.13956 171.5
[M+HCOO]- 385.14050 203.9
[M+CH3COO]- 399.15615 217.2
[M+Na-2H]- 361.11697 181.2
[M]+ 340.14175 182.3
[M]- 340.14285 182.3
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.