CID 3768902

4-(4-benzylphenyl)-1,3-thiazol-2-amine

Structural Information

Molecular Formula
C16H14N2S
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C16H14N2S/c17-16-18-15(11-19-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,17,18)
InChIKey
XYDVHKCVOMGRSY-UHFFFAOYSA-N
Compound name
4-(4-benzylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

28
Patents

266.08777 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.09505 158.9
[M+Na]+ 289.07699 168.1
[M-H]- 265.08049 167.7
[M+NH4]+ 284.12159 176.1
[M+K]+ 305.05093 161.7
[M+H-H2O]+ 249.08503 150.9
[M+HCOO]- 311.08597 179.2
[M+CH3COO]- 325.10162 171.5
[M+Na-2H]- 287.06244 161.0
[M]+ 266.08722 159.2
[M]- 266.08832 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe