CID 9570907

Brn 4496966

Structural Information

Molecular Formula
C20H28N2OS
SMILES
CCN(CC)CCO/N=C(\C)/C1=CC=C(S1)C2=CC(=C(C=C2)C)C
InChI
InChI=1S/C20H28N2OS/c1-6-22(7-2)12-13-23-21-17(5)19-10-11-20(24-19)18-9-8-15(3)16(4)14-18/h8-11,14H,6-7,12-13H2,1-5H3/b21-17+
InChIKey
GVVTXVNIEIDFQC-HEHNFIMWSA-N
Compound name
2-[(E)-1-[5-(3,4-dimethylphenyl)thiophen-2-yl]ethylideneamino]oxy-N,N-diethylethanamine
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 186.8
[M+Na]+ 367.18145 192.5
[M-H]- 343.18495 196.1
[M+NH4]+ 362.22605 203.7
[M+K]+ 383.15539 189.1
[M+H-H2O]+ 327.18949 178.3
[M+HCOO]- 389.19043 208.0
[M+CH3COO]- 403.20608 224.0
[M+Na-2H]- 365.16690 183.8
[M]+ 344.19168 194.0
[M]- 344.19278 194.0
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.