CID 511591

4-[2-imidazol-1-yl-2-(5-methyl-2-thienyl)ethyl]aniline

Structural Information

Molecular Formula
C16H17N3S
SMILES
CC1=CC=C(S1)C(CC2=CC=C(C=C2)N)N3C=CN=C3
InChI
InChI=1S/C16H17N3S/c1-12-2-7-16(20-12)15(19-9-8-18-11-19)10-13-3-5-14(17)6-4-13/h2-9,11,15H,10,17H2,1H3
InChIKey
VODQAOLUYCDAJA-UHFFFAOYSA-N
Compound name
4-[2-imidazol-1-yl-2-(5-methylthiophen-2-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.11432 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12160 164.4
[M+Na]+ 306.10354 174.2
[M-H]- 282.10704 172.8
[M+NH4]+ 301.14814 181.6
[M+K]+ 322.07748 168.8
[M+H-H2O]+ 266.11158 156.3
[M+HCOO]- 328.11252 184.7
[M+CH3COO]- 342.12817 176.9
[M+Na-2H]- 304.08899 163.5
[M]+ 283.11377 167.1
[M]- 283.11487 167.1
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.