CID 3062041

80154-91-2

Structural Information

Molecular Formula
C15H19NOS
SMILES
CCNC(CC1=CC=C(C=C1)OC)C2=CC=CS2
InChI
InChI=1S/C15H19NOS/c1-3-16-14(15-5-4-10-18-15)11-12-6-8-13(17-2)9-7-12/h4-10,14,16H,3,11H2,1-2H3
InChIKey
FOPHCCBLCWDBPD-UHFFFAOYSA-N
Compound name
N-ethyl-2-(4-methoxyphenyl)-1-thiophen-2-ylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.11874 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12602 160.9
[M+Na]+ 284.10796 167.3
[M-H]- 260.11146 167.6
[M+NH4]+ 279.15256 179.7
[M+K]+ 300.08190 163.4
[M+H-H2O]+ 244.11600 153.8
[M+HCOO]- 306.11694 180.8
[M+CH3COO]- 320.13259 197.5
[M+Na-2H]- 282.09341 161.5
[M]+ 261.11819 164.0
[M]- 261.11929 164.0
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.