CID 9570894

Brn 4489235

Structural Information

Molecular Formula
C20H19NOS
SMILES
CC1=CC=C(C=C1)C2=CC=C(S2)/C(=N/OCC3=CC=CC=C3)/C
InChI
InChI=1S/C20H19NOS/c1-15-8-10-18(11-9-15)20-13-12-19(23-20)16(2)21-22-14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3/b21-16+
InChIKey
QJAALLXSQVBKNJ-LTGZKZEYSA-N
Compound name
(E)-1-[5-(4-methylphenyl)thiophen-2-yl]-N-phenylmethoxyethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.11874 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12602 176.2
[M+Na]+ 344.10796 190.6
[M+NH4]+ 339.15256 186.0
[M+K]+ 360.08190 181.0
[M-H]- 320.11146 184.2
[M+Na-2H]- 342.09341 186.9
[M]+ 321.11819 181.2
[M]- 321.11929 181.2
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.