CID 9570894

Ethanone, 1-(5-(4-methylphenyl)-2-thienyl)-, o-(phenylmethyl)oxime

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 177.2
[M+Na]+ 344.10796 184.6
[M-H]- 320.11146 188.6
[M+NH4]+ 339.15256 194.1
[M+K]+ 360.08190 179.4
[M+H-H2O]+ 304.11600 168.8
[M+HCOO]- 366.11694 198.8
[M+CH3COO]- 380.13259 189.2
[M+Na-2H]- 342.09341 177.4
[M]+ 321.11819 181.0
[M]- 321.11929 181.0
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.