CID 379111

Nsc663325

Structural Information

Molecular Formula
C14H11FN4OS
SMILES
CC1=NC2=C(C(=CC=C2)F)C(=O)N1C3=NN=C(S3)C4CC4
InChI
InChI=1S/C14H11FN4OS/c1-7-16-10-4-2-3-9(15)11(10)13(20)19(7)14-18-17-12(21-14)8-5-6-8/h2-4,8H,5-6H2,1H3
InChIKey
SIYPCNYJTHBCDE-UHFFFAOYSA-N
Compound name
3-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.06375 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07103 172.1
[M+Na]+ 325.05297 187.9
[M-H]- 301.05647 178.3
[M+NH4]+ 320.09757 181.3
[M+K]+ 341.02691 179.4
[M+H-H2O]+ 285.06101 162.7
[M+HCOO]- 347.06195 188.2
[M+CH3COO]- 361.07760 183.7
[M+Na-2H]- 323.03842 173.2
[M]+ 302.06320 178.6
[M]- 302.06430 178.6
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.