CID 214907

Itf 1020

Structural Information

Molecular Formula
C18H19F3N4O
SMILES
CN(C)CCCOC1=NN(C2=C1C=CC=N2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H19F3N4O/c1-24(2)10-5-11-26-17-15-8-4-9-22-16(15)25(23-17)14-7-3-6-13(12-14)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey
UMUMVWGNUHCRAZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[1-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridin-3-yl]oxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1511 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15838 184.7
[M+Na]+ 387.14032 194.3
[M-H]- 363.14382 186.4
[M+NH4]+ 382.18492 196.5
[M+K]+ 403.11426 189.0
[M+H-H2O]+ 347.14836 171.8
[M+HCOO]- 409.14930 202.4
[M+CH3COO]- 423.16495 220.6
[M+Na-2H]- 385.12577 188.5
[M]+ 364.15055 186.9
[M]- 364.15165 186.9
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

No patent data available for this compound.