CID 5467698

Nsc657880

Structural Information

Molecular Formula
C18H18N2O3
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)OCC(=N)N
InChI
InChI=1S/C18H18N2O3/c1-22-15-9-5-14(6-10-15)17(21)11-4-13-2-7-16(8-3-13)23-12-18(19)20/h2-11H,12H2,1H3,(H3,19,20)/b11-4+
InChIKey
PWYRYSNOQHLZBK-NYYWCZLTSA-N
Compound name
2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13174 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 173.3
[M+Na]+ 333.120958 178.3
[M-H]- 309.124464 179.1
[M+NH4]+ 328.165563 186.5
[M+K]+ 349.094898 174.2
[M+H-H2O]+ 293.129000 164.5
[M+HCOO]- 355.129941 196.9
[M+CH3COO]- 369.145591 210.7
[M+Na-2H]- 331.106406 175.1
[M]+ 310.13119142 172.9
[M]- 310.13228858 172.9
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.