CID 9570409

4'-phenoxy-2-(1-pyrrolidinylimino)acetophenone

Structural Information

Molecular Formula
C18H18N2O2
SMILES
C1CCN(C1)/N=C/C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O2/c21-18(14-19-20-12-4-5-13-20)15-8-10-17(11-9-15)22-16-6-2-1-3-7-16/h1-3,6-11,14H,4-5,12-13H2/b19-14+
InChIKey
KCYDSCVBZLDRSV-XMHGGMMESA-N
Compound name
(2E)-1-(4-phenoxyphenyl)-2-pyrrolidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.13684 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 168.4
[M+Na]+ 317.12606 173.0
[M-H]- 293.12956 177.3
[M+NH4]+ 312.17066 183.4
[M+K]+ 333.10000 169.2
[M+H-H2O]+ 277.13410 158.5
[M+HCOO]- 339.13504 191.7
[M+CH3COO]- 353.15069 204.2
[M+Na-2H]- 315.11151 171.1
[M]+ 294.13629 166.9
[M]- 294.13739 166.9
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.