CID 394343

Nsc697712

Structural Information

Molecular Formula
C14H15F3N6
SMILES
CN(C)CCN1C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=N1)N
InChI
InChI=1S/C14H15F3N6/c1-22(2)5-6-23-13-11(12(18)21-23)19-10-7-8(14(15,16)17)3-4-9(10)20-13/h3-4,7H,5-6H2,1-2H3,(H2,18,21)
InChIKey
PMHIGNGCXWUSEW-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-6-(trifluoromethyl)pyrazolo[3,4-b]quinoxalin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.13104 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.13832 174.6
[M+Na]+ 347.12026 186.3
[M-H]- 323.12376 173.2
[M+NH4]+ 342.16486 187.9
[M+K]+ 363.09420 180.7
[M+H-H2O]+ 307.12830 162.9
[M+HCOO]- 369.12924 191.0
[M+CH3COO]- 383.14489 217.0
[M+Na-2H]- 345.10571 180.0
[M]+ 324.13049 174.8
[M]- 324.13159 174.8
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.