CID 9570888

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

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]+ 274.126016 164.7
[M+Na]+ 296.107958 172.4
[M-H]- 272.111464 173.2
[M+NH4]+ 291.152563 184.1
[M+K]+ 312.081898 168.6
[M+H-H2O]+ 256.116000 157.5
[M+HCOO]- 318.116941 186.0
[M+CH3COO]- 332.132591 202.7
[M+Na-2H]- 294.093406 164.5
[M]+ 273.11819142 169.7
[M]- 273.11928858 169.7
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.