CID 9570889

Brn 4483685

Structural Information

Molecular Formula
C19H26N2OS
SMILES
CCN(CC)CCO/N=C(\C)/C1=CC=C(S1)C2=CC=C(C=C2)C
InChI
InChI=1S/C19H26N2OS/c1-5-21(6-2)13-14-22-20-16(4)18-11-12-19(23-18)17-9-7-15(3)8-10-17/h7-12H,5-6,13-14H2,1-4H3/b20-16+
InChIKey
DMEAKANACZPSCL-CAPFRKAQSA-N
Compound name
N,N-diethyl-2-[(E)-1-[5-(4-methylphenyl)thiophen-2-yl]ethylideneamino]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.17657 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18385 182.7
[M+Na]+ 353.16579 188.0
[M-H]- 329.16929 191.8
[M+NH4]+ 348.21039 199.8
[M+K]+ 369.13973 184.8
[M+H-H2O]+ 313.17383 174.1
[M+HCOO]- 375.17477 204.2
[M+CH3COO]- 389.19042 219.8
[M+Na-2H]- 351.15124 180.8
[M]+ 330.17602 189.1
[M]- 330.17712 189.1
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.