CID 9570888

Brn 4436432

Structural Information

Molecular Formula
C16H19NOS
SMILES
CCCO/N=C(\C)/C1=CC=C(S1)C2=CC=C(C=C2)C
InChI
InChI=1S/C16H19NOS/c1-4-11-18-17-13(3)15-9-10-16(19-15)14-7-5-12(2)6-8-14/h5-10H,4,11H2,1-3H3/b17-13+
InChIKey
PBJSZHWXPWBLQW-GHRIWEEISA-N
Compound name
(E)-1-[5-(4-methylphenyl)thiophen-2-yl]-N-propoxyethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11874 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12602 164.9
[M+Na]+ 296.10796 177.1
[M+NH4]+ 291.15256 174.1
[M+K]+ 312.08190 168.8
[M-H]- 272.11146 170.1
[M+Na-2H]- 294.09341 172.3
[M]+ 273.11819 168.6
[M]- 273.11929 168.6
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.