CID 2382939

102026-45-9

Structural Information

Molecular Formula
C17H16N2S
SMILES
CC1=CC=C(C=C1)C2=C(SC(=N2)N)C3=CC=C(C=C3)C
InChI
InChI=1S/C17H16N2S/c1-11-3-7-13(8-4-11)15-16(20-17(18)19-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,19)
InChIKey
DLANDBNUPHBVOL-UHFFFAOYSA-N
Compound name
4,5-bis(4-methylphenyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

280.10342 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.11070 164.0
[M+Na]+ 303.09264 174.4
[M-H]- 279.09614 173.4
[M+NH4]+ 298.13724 181.2
[M+K]+ 319.06658 167.8
[M+H-H2O]+ 263.10068 156.2
[M+HCOO]- 325.10162 183.8
[M+CH3COO]- 339.11727 176.7
[M+Na-2H]- 301.07809 164.1
[M]+ 280.10287 165.4
[M]- 280.10397 165.4
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