CID 24755476

6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-n-(1-methylethyl)-1,3-benzothiazol-2-amine

Structural Information

Molecular Formula
C19H16FN3OS
SMILES
CC(C)NC1=NC2=C(S1)C=C(C=C2)C3=C(N=CO3)C4=CC=CC=C4F
InChI
InChI=1S/C19H16FN3OS/c1-11(2)22-19-23-15-8-7-12(9-16(15)25-19)18-17(21-10-24-18)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,22,23)
InChIKey
FQYJTHIYAQQJAB-UHFFFAOYSA-N
Compound name
6-[4-(2-fluorophenyl)-1,3-oxazol-5-yl]-N-propan-2-yl-1,3-benzothiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

353.09982 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.10710 180.0
[M+Na]+ 376.08904 191.7
[M-H]- 352.09254 189.6
[M+NH4]+ 371.13364 194.6
[M+K]+ 392.06298 186.5
[M+H-H2O]+ 336.09708 171.7
[M+HCOO]- 398.09802 198.1
[M+CH3COO]- 412.11367 192.1
[M+Na-2H]- 374.07449 180.0
[M]+ 353.09927 185.4
[M]- 353.10037 185.4
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