CID 9570890

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

Structural Information

Molecular Formula
C19H24N2OS
SMILES
CC1=CC=C(C=C1)C2=CC=C(S2)/C(=N/OCCN3CCCC3)/C
InChI
InChI=1S/C19H24N2OS/c1-15-5-7-17(8-6-15)19-10-9-18(23-19)16(2)20-22-14-13-21-11-3-4-12-21/h5-10H,3-4,11-14H2,1-2H3/b20-16+
InChIKey
XMQGIPYGMYPYEO-CAPFRKAQSA-N
Compound name
(E)-1-[5-(4-methylphenyl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethoxy)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.16095 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.168226 180.6
[M+Na]+ 351.150168 186.5
[M-H]- 327.153674 190.4
[M+NH4]+ 346.194773 197.8
[M+K]+ 367.124108 182.4
[M+H-H2O]+ 311.158210 172.4
[M+HCOO]- 373.159151 199.4
[M+CH3COO]- 387.174801 210.7
[M+Na-2H]- 349.135616 176.9
[M]+ 328.16040142 182.9
[M]- 328.16149858 182.9
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.