CID 121379334

3-bromo-7-((2,6-difluorophenyl)methoxy)-2,5-dimethylpyrazolo(1,5-a)pyridine

Structural Information

Molecular Formula
C16H13BrF2N2O
SMILES
CC1=CC2=C(C(=NN2C(=C1)OCC3=C(C=CC=C3F)F)C)Br
InChI
InChI=1S/C16H13BrF2N2O/c1-9-6-14-16(17)10(2)20-21(14)15(7-9)22-8-11-12(18)4-3-5-13(11)19/h3-7H,8H2,1-2H3
InChIKey
CALQSMUUGRZXQS-UHFFFAOYSA-N
Compound name
3-bromo-7-[(2,6-difluorophenyl)methoxy]-2,5-dimethylpyrazolo[1,5-a]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

366.01794 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.02522 176.9
[M+Na]+ 389.00716 192.8
[M-H]- 365.01066 183.5
[M+NH4]+ 384.05176 194.4
[M+K]+ 404.98110 179.4
[M+H-H2O]+ 349.01520 173.7
[M+HCOO]- 411.01614 195.6
[M+CH3COO]- 425.03179 190.7
[M+Na-2H]- 386.99261 180.1
[M]+ 366.01739 198.6
[M]- 366.01849 198.6
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

patents stripe