CID 1484819

[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl](phenyl)methanone

Structural Information

Molecular Formula
C14H17N3OS
SMILES
CC(C)(C)NC1=NC(=C(S1)C(=O)C2=CC=CC=C2)N
InChI
InChI=1S/C14H17N3OS/c1-14(2,3)17-13-16-12(15)11(19-13)10(18)9-7-5-4-6-8-9/h4-8H,15H2,1-3H3,(H,16,17)
InChIKey
KEHNGAHNKVLUSC-UHFFFAOYSA-N
Compound name
[4-amino-2-(tert-butylamino)-1,3-thiazol-5-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

275.10922 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 164.1
[M+Na]+ 298.09844 171.5
[M-H]- 274.10194 169.7
[M+NH4]+ 293.14304 180.7
[M+K]+ 314.07238 167.2
[M+H-H2O]+ 258.10648 156.8
[M+HCOO]- 320.10742 182.1
[M+CH3COO]- 334.12307 201.5
[M+Na-2H]- 296.08389 165.2
[M]+ 275.10867 164.7
[M]- 275.10977 164.7
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