CID 9570421

25561-44-8

Structural Information

Molecular Formula
C18H18N2O3
SMILES
C1COCCN1/N=C/C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O3/c21-18(14-19-20-10-12-22-13-11-20)15-6-8-17(9-7-15)23-16-4-2-1-3-5-16/h1-9,14H,10-13H2/b19-14+
InChIKey
PBFOGGGMMMMJPI-XMHGGMMESA-N
Compound name
(2E)-2-morpholin-4-ylimino-1-(4-phenoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.13174 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.139016 172.1
[M+Na]+ 333.120958 175.8
[M-H]- 309.124464 181.0
[M+NH4]+ 328.165563 183.0
[M+K]+ 349.094898 173.5
[M+H-H2O]+ 293.129000 161.2
[M+HCOO]- 355.129941 192.3
[M+CH3COO]- 369.145591 207.1
[M+Na-2H]- 331.106406 177.1
[M]+ 310.13119142 170.2
[M]- 310.13228858 170.2
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.