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]+ 311.13902 173.3
[M+Na]+ 333.12096 178.3
[M-H]- 309.12446 179.1
[M+NH4]+ 328.16556 186.5
[M+K]+ 349.09490 174.2
[M+H-H2O]+ 293.12900 164.5
[M+HCOO]- 355.12994 196.9
[M+CH3COO]- 369.14559 210.7
[M+Na-2H]- 331.10641 175.1
[M]+ 310.13119 172.9
[M]- 310.13229 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.