CID 399618

{4-amino-2-[(4-methoxyphenyl)amino]-1,3-thiazol-5-yl}(4-methoxyphenyl)methanone

Structural Information

Molecular Formula
C18H17N3O3S
SMILES
COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)OC)N
InChI
InChI=1S/C18H17N3O3S/c1-23-13-7-3-11(4-8-13)15(22)16-17(19)21-18(25-16)20-12-5-9-14(24-2)10-6-12/h3-10H,19H2,1-2H3,(H,20,21)
InChIKey
XQKUGFIWKSKCDL-UHFFFAOYSA-N
Compound name
[4-amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

9
Patents

355.09906 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.10634 181.3
[M+Na]+ 378.08828 189.1
[M-H]- 354.09178 190.3
[M+NH4]+ 373.13288 194.3
[M+K]+ 394.06222 184.2
[M+H-H2O]+ 338.09632 172.4
[M+HCOO]- 400.09726 201.4
[M+CH3COO]- 414.11291 216.4
[M+Na-2H]- 376.07373 181.2
[M]+ 355.09851 185.0
[M]- 355.09961 185.0
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