CID 516632

121845-84-9

Structural Information

Molecular Formula
C21H16FN5O
SMILES
CC1=C2C(=C(C(=N1)C)NC(=O)C3=CC=CC=C3)N=NC(=N2)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H16FN5O/c1-12-17-19(26-27-20(24-17)14-8-10-16(22)11-9-14)18(13(2)23-12)25-21(28)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,25,28)
InChIKey
MZAJNFCBMONLLR-UHFFFAOYSA-N
Compound name
N-[3-(4-fluorophenyl)-5,7-dimethylpyrido[3,4-e][1,2,4]triazin-8-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.13388 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14116 192.7
[M+Na]+ 396.12310 202.5
[M-H]- 372.12660 197.2
[M+NH4]+ 391.16770 199.5
[M+K]+ 412.09704 194.1
[M+H-H2O]+ 356.13114 178.9
[M+HCOO]- 418.13208 209.0
[M+CH3COO]- 432.14773 201.2
[M+Na-2H]- 394.10855 197.7
[M]+ 373.13333 192.2
[M]- 373.13443 192.2
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.