CID 9570900

Brn 4487714

Structural Information

Molecular Formula
C20H28N2OS
SMILES
CCC1=CC=C(C=C1)C2=CC=C(S2)/C(=N/OCCN(CC)CC)/C
InChI
InChI=1S/C20H28N2OS/c1-5-17-8-10-18(11-9-17)20-13-12-19(24-20)16(4)21-23-15-14-22(6-2)7-3/h8-13H,5-7,14-15H2,1-4H3/b21-16+
InChIKey
LYKDBXLHYWOEEM-LTGZKZEYSA-N
Compound name
N,N-diethyl-2-[(E)-1-[5-(4-ethylphenyl)thiophen-2-yl]ethylideneamino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.19223 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19951 187.1
[M+Na]+ 367.18145 192.0
[M-H]- 343.18495 196.0
[M+NH4]+ 362.22605 203.7
[M+K]+ 383.15539 188.6
[M+H-H2O]+ 327.18949 178.3
[M+HCOO]- 389.19043 208.4
[M+CH3COO]- 403.20608 222.8
[M+Na-2H]- 365.16690 184.8
[M]+ 344.19168 193.9
[M]- 344.19278 193.9
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.