CID 3779752

4-(4-bromophenyl)-n-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C14H15BrN2OS
SMILES
C1CC(OC1)CNC2=NC(=CS2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C14H15BrN2OS/c15-11-5-3-10(4-6-11)13-9-19-14(17-13)16-8-12-2-1-7-18-12/h3-6,9,12H,1-2,7-8H2,(H,16,17)
InChIKey
SAGJEYRZFHOCRK-UHFFFAOYSA-N
Compound name
4-(4-bromophenyl)-N-(oxolan-2-ylmethyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.00885 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.01613 165.0
[M+Na]+ 360.99807 176.3
[M-H]- 337.00157 177.1
[M+NH4]+ 356.04267 184.0
[M+K]+ 376.97201 165.6
[M+H-H2O]+ 321.00611 164.9
[M+HCOO]- 383.00705 182.2
[M+CH3COO]- 397.02270 179.2
[M+Na-2H]- 358.98352 166.9
[M]+ 338.00830 184.4
[M]- 338.00940 184.4
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.