CID 511583

4-[2-imidazol-1-yl-2-(2-thienyl)ethyl]aniline

Structural Information

Molecular Formula
C15H15N3S
SMILES
C1=CSC(=C1)C(CC2=CC=C(C=C2)N)N3C=CN=C3
InChI
InChI=1S/C15H15N3S/c16-13-5-3-12(4-6-13)10-14(15-2-1-9-19-15)18-8-7-17-11-18/h1-9,11,14H,10,16H2
InChIKey
ALRBSESIZAFSRP-UHFFFAOYSA-N
Compound name
4-(2-imidazol-1-yl-2-thiophen-2-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.09866 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10594 159.5
[M+Na]+ 292.08788 169.0
[M-H]- 268.09138 167.8
[M+NH4]+ 287.13248 177.0
[M+K]+ 308.06182 163.8
[M+H-H2O]+ 252.09592 151.5
[M+HCOO]- 314.09686 180.2
[M+CH3COO]- 328.11251 172.2
[M+Na-2H]- 290.07333 159.9
[M]+ 269.09811 161.5
[M]- 269.09921 161.5
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.