CID 9570905

Brn 4497080

Structural Information

Molecular Formula
C21H30N2OS
SMILES
CCN(CC)CCO/N=C(\C)/C1=CC=C(S1)C2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C21H30N2OS/c1-6-23(7-2)14-15-24-22-17(5)20-12-13-21(25-20)19-10-8-18(9-11-19)16(3)4/h8-13,16H,6-7,14-15H2,1-5H3/b22-17+
InChIKey
IGXLSIKHLKRKMM-OQKWZONESA-N
Compound name
N,N-diethyl-2-[(E)-1-[5-(4-propan-2-ylphenyl)thiophen-2-yl]ethylideneamino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.2079 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.21518 192.1
[M+Na]+ 381.19712 196.2
[M-H]- 357.20062 200.9
[M+NH4]+ 376.24172 208.0
[M+K]+ 397.17106 193.1
[M+H-H2O]+ 341.20516 183.3
[M+HCOO]- 403.20610 211.9
[M+CH3COO]- 417.22175 226.6
[M+Na-2H]- 379.18257 188.2
[M]+ 358.20735 198.6
[M]- 358.20845 198.6
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.