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]+ 279.14918 165.5
[M+Na]+ 301.13112 170.2
[M-H]- 277.13462 174.4
[M+NH4]+ 296.17572 181.2
[M+K]+ 317.10506 165.8
[M+H-H2O]+ 261.13916 155.7
[M+HCOO]- 323.14010 188.6
[M+CH3COO]- 337.15575 176.6
[M+Na-2H]- 299.11657 168.1
[M]+ 278.14135 162.5
[M]- 278.14245 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.