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]+ 262.126016 160.9
[M+Na]+ 284.107958 167.3
[M-H]- 260.111464 167.6
[M+NH4]+ 279.152563 179.7
[M+K]+ 300.081898 163.4
[M+H-H2O]+ 244.116000 153.8
[M+HCOO]- 306.116941 180.8
[M+CH3COO]- 320.132591 197.5
[M+Na-2H]- 282.093406 161.5
[M]+ 261.11819142 164.0
[M]- 261.11928858 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.