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 181.7
[M+Na]+ 358.12362 188.6
[M-H]- 334.12712 192.9
[M+NH4]+ 353.16822 198.0
[M+K]+ 374.09756 183.1
[M+H-H2O]+ 318.13166 173.1
[M+HCOO]- 380.13260 202.9
[M+CH3COO]- 394.14825 213.3
[M+Na-2H]- 356.10907 181.3
[M]+ 335.13385 185.7
[M]- 335.13495 185.7
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.