CID 76075

2834-79-9

Structural Information

Molecular Formula
C15H12N2S
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C15H12N2S/c16-15-17-14(10-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H2,16,17)
InChIKey
HTAUVJPDFDVVHV-UHFFFAOYSA-N
Compound name
4-(4-phenylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

129
Patents

252.07211 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.07939 154.6
[M+Na]+ 275.06133 164.2
[M-H]- 251.06483 163.6
[M+NH4]+ 270.10593 172.3
[M+K]+ 291.03527 158.0
[M+H-H2O]+ 235.06937 146.8
[M+HCOO]- 297.07031 175.2
[M+CH3COO]- 311.08596 167.5
[M+Na-2H]- 273.04678 157.1
[M]+ 252.07156 154.5
[M]- 252.07266 154.5
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