CID 516631

121845-83-8

Structural Information

Molecular Formula
C16H14FN5O
SMILES
CC1=C2C(=C(C(=N1)C)NC(=O)C)N=NC(=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H14FN5O/c1-8-13(19-10(3)23)15-14(9(2)18-8)20-16(22-21-15)11-4-6-12(17)7-5-11/h4-7H,1-3H3,(H,19,23)
InChIKey
UUMOUDRURDEIED-UHFFFAOYSA-N
Compound name
N-[3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazin-8-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.11823 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.12551 175.6
[M+Na]+ 334.10745 186.6
[M-H]- 310.11095 177.5
[M+NH4]+ 329.15205 185.9
[M+K]+ 350.08139 180.1
[M+H-H2O]+ 294.11549 163.9
[M+HCOO]- 356.11643 192.7
[M+CH3COO]- 370.13208 185.7
[M+Na-2H]- 332.09290 180.8
[M]+ 311.11768 176.3
[M]- 311.11878 176.3
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.