CID 9578564

24342-49-2

Structural Information

Molecular Formula
C18H18N2O
SMILES
C1CCN(C1)/N=C/C(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H18N2O/c21-18(14-19-20-12-4-5-13-20)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2/b19-14+
InChIKey
WCMOTCVMZGYIFD-XMHGGMMESA-N
Compound name
(2E)-1-(4-phenylphenyl)-2-pyrrolidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1419 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.149176 165.5
[M+Na]+ 301.131118 170.2
[M-H]- 277.134624 174.4
[M+NH4]+ 296.175723 181.2
[M+K]+ 317.105058 165.8
[M+H-H2O]+ 261.139160 155.7
[M+HCOO]- 323.140101 188.6
[M+CH3COO]- 337.155751 176.6
[M+Na-2H]- 299.116566 168.1
[M]+ 278.14135142 162.5
[M]- 278.14244858 162.5
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.