CID 16488216

908507-47-1

Structural Information

Molecular Formula
C17H15FN4O4
SMILES
CC1=NN2C(=C(N=NC2=C1C3=CC=C(C=C3)F)C(=O)OC)CC(=O)OC
InChI
InChI=1S/C17H15FN4O4/c1-9-14(10-4-6-11(18)7-5-10)16-20-19-15(17(24)26-3)12(22(16)21-9)8-13(23)25-2/h4-7H,8H2,1-3H3
InChIKey
KWTKCHALBVDJOY-UHFFFAOYSA-N
Compound name
methyl 8-(4-fluorophenyl)-4-(2-methoxy-2-oxoethyl)-7-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.10773 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11501 181.5
[M+Na]+ 381.09695 193.1
[M-H]- 357.10045 184.3
[M+NH4]+ 376.14155 192.0
[M+K]+ 397.07089 188.7
[M+H-H2O]+ 341.10499 170.7
[M+HCOO]- 403.10593 199.4
[M+CH3COO]- 417.12158 214.9
[M+Na-2H]- 379.08240 182.9
[M]+ 358.10718 188.3
[M]- 358.10828 188.3
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.