CID 3045133

Thiazole, 5-(p-benzyloxyphenyl)-2,4-diamino-, hydrochloride

Structural Information

Molecular Formula
C16H15N3OS
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=C(N=C(S3)N)N
InChI
InChI=1S/C16H15N3OS/c17-15-14(21-16(18)19-15)12-6-8-13(9-7-12)20-10-11-4-2-1-3-5-11/h1-9H,10,17H2,(H2,18,19)
InChIKey
GHXXTYDZJAUMQB-UHFFFAOYSA-N
Compound name
5-(4-phenylmethoxyphenyl)-1,3-thiazole-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0936 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10088 165.6
[M+Na]+ 320.08282 174.4
[M-H]- 296.08632 174.1
[M+NH4]+ 315.12742 181.0
[M+K]+ 336.05676 168.1
[M+H-H2O]+ 280.09086 157.3
[M+HCOO]- 342.09180 186.4
[M+CH3COO]- 356.10745 177.4
[M+Na-2H]- 318.06827 167.0
[M]+ 297.09305 166.0
[M]- 297.09415 166.0
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.