CID 9570901

Brn 4519267

Structural Information

Molecular Formula
C20H26N2O2S
SMILES
CCC1=CC=C(C=C1)C2=CC=C(S2)/C(=N/OCCN3CCOCC3)/C
InChI
InChI=1S/C20H26N2O2S/c1-3-17-4-6-18(7-5-17)20-9-8-19(25-20)16(2)21-24-15-12-22-10-13-23-14-11-22/h4-9H,3,10-15H2,1-2H3/b21-16+
InChIKey
ZGPXPKHCPVVNHD-LTGZKZEYSA-N
Compound name
(E)-1-[5-(4-ethylphenyl)thiophen-2-yl]-N-(2-morpholin-4-ylethoxy)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1715 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.17878 187.0
[M+Na]+ 381.16072 191.3
[M-H]- 357.16422 196.4
[M+NH4]+ 376.20532 199.5
[M+K]+ 397.13466 188.1
[M+H-H2O]+ 341.16876 177.8
[M+HCOO]- 403.16970 202.5
[M+CH3COO]- 417.18535 216.0
[M+Na-2H]- 379.14617 185.2
[M]+ 358.17095 189.0
[M]- 358.17205 189.0
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.