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]+ 341.149576 180.6
[M+Na]+ 363.131518 185.8
[M-H]- 339.135024 186.6
[M+NH4]+ 358.176123 192.8
[M+K]+ 379.105458 182.3
[M+H-H2O]+ 323.139560 171.5
[M+HCOO]- 385.140501 203.9
[M+CH3COO]- 399.156151 217.2
[M+Na-2H]- 361.116966 181.2
[M]+ 340.14175142 182.3
[M]- 340.14284858 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.