CID 9570904

Brn 4494061

Structural Information

Molecular Formula
C21H21NOS
SMILES
CCC1=CC=C(C=C1)C2=CC=C(S2)/C(=N/OCC3=CC=CC=C3)/C
InChI
InChI=1S/C21H21NOS/c1-3-17-9-11-19(12-10-17)21-14-13-20(24-21)16(2)22-23-15-18-7-5-4-6-8-18/h4-14H,3,15H2,1-2H3/b22-16+
InChIKey
BTRHTZWNCLTSQW-CJLVFECKSA-N
Compound name
(E)-1-[5-(4-ethylphenyl)thiophen-2-yl]-N-phenylmethoxyethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1344 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14168 180.7
[M+Na]+ 358.12362 194.8
[M+NH4]+ 353.16822 190.3
[M+K]+ 374.09756 184.9
[M-H]- 334.12712 188.5
[M+Na-2H]- 356.10907 191.1
[M]+ 335.13385 185.6
[M]- 335.13495 185.6
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.