CID 3059459

76603-21-9

Structural Information

Molecular Formula
C15H14N4O
SMILES
CCC(=O)N1C2=C(C=NC=C2)N=C(N1)C3=CC=CC=C3
InChI
InChI=1S/C15H14N4O/c1-2-14(20)19-13-8-9-16-10-12(13)17-15(18-19)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,17,18)
InChIKey
RNFKQUORQLXOQG-UHFFFAOYSA-N
Compound name
1-(3-phenyl-2H-pyrido[3,4-e][1,2,4]triazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

266.11676 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12404 163.5
[M+Na]+ 289.10598 171.6
[M-H]- 265.10948 164.1
[M+NH4]+ 284.15058 174.4
[M+K]+ 305.07992 165.2
[M+H-H2O]+ 249.11402 152.9
[M+HCOO]- 311.11496 178.2
[M+CH3COO]- 325.13061 173.0
[M+Na-2H]- 287.09143 170.2
[M]+ 266.11621 161.1
[M]- 266.11731 161.1
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