CID 214913

Itf 1019

Structural Information

Molecular Formula
C19H21F3N4O
SMILES
CCN(CC)CCOC1=NN(C2=C1C=CC=N2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C19H21F3N4O/c1-3-25(4-2)11-12-27-18-16-9-6-10-23-17(16)26(24-18)15-8-5-7-14(13-15)19(20,21)22/h5-10,13H,3-4,11-12H2,1-2H3
InChIKey
UYNZTFVVFYNWHB-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-3-yl]oxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.16675 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17403 189.3
[M+Na]+ 401.15597 198.4
[M-H]- 377.15947 190.8
[M+NH4]+ 396.20057 200.5
[M+K]+ 417.12991 192.9
[M+H-H2O]+ 361.16401 176.2
[M+HCOO]- 423.16495 206.7
[M+CH3COO]- 437.18060 223.5
[M+Na-2H]- 399.14142 192.6
[M]+ 378.16620 191.8
[M]- 378.16730 191.8
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.