CID 134827875

Tt-10

Structural Information

Molecular Formula
C11H10FN3OS2
SMILES
C=CCNC1=NC(=C(S1)C(=O)C2=CC=C(S2)F)N
InChI
InChI=1S/C11H10FN3OS2/c1-2-5-14-11-15-10(13)9(18-11)8(16)6-3-4-7(12)17-6/h2-4H,1,5,13H2,(H,14,15)
InChIKey
GVYPHJQPOHDZEI-UHFFFAOYSA-N
Compound name
[4-amino-2-(prop-2-enylamino)-1,3-thiazol-5-yl]-(5-fluorothiophen-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

283.02493 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.03221 158.6
[M+Na]+ 306.01415 169.4
[M-H]- 282.01765 163.7
[M+NH4]+ 301.05875 177.1
[M+K]+ 321.98809 163.2
[M+H-H2O]+ 266.02219 151.4
[M+HCOO]- 328.02313 174.6
[M+CH3COO]- 342.03878 200.3
[M+Na-2H]- 303.99960 155.9
[M]+ 283.02438 160.9
[M]- 283.02548 160.9
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

patents stripe