CID 1479553

338962-24-6

Structural Information

Molecular Formula
C15H6F6N4S
SMILES
C1=CSC(=C1)C2=NN=C3N2C4=C(C=C3)C(=CC(=N4)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C15H6F6N4S/c16-14(17,18)8-6-10(15(19,20)21)22-12-7(8)3-4-11-23-24-13(25(11)12)9-2-1-5-26-9/h1-6H
InChIKey
IXVSOOCAVWSCQL-UHFFFAOYSA-N
Compound name
9-thiophen-2-yl-2,4-bis(trifluoromethyl)-[1,2,4]triazolo[4,3-a][1,8]naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

388.02173 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.02901 181.5
[M+Na]+ 411.01095 197.9
[M-H]- 387.01445 180.5
[M+NH4]+ 406.05555 195.0
[M+K]+ 426.98489 189.8
[M+H-H2O]+ 371.01899 169.7
[M+HCOO]- 433.01993 190.3
[M+CH3COO]- 447.03558 191.8
[M+Na-2H]- 408.99640 183.4
[M]+ 388.02118 182.3
[M]- 388.02228 182.3
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