CID 3070763

1,2,4-triazolo(4,3-b)(1,2,4)triazine, 7-(4-methoxyphenyl)-3-(1-methylethyl)-

Structural Information

Molecular Formula
C14H15N5O
SMILES
CC(C)C1=NN=C2N1N=CC(=N2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C14H15N5O/c1-9(2)13-17-18-14-16-12(8-15-19(13)14)10-4-6-11(20-3)7-5-10/h4-9H,1-3H3
InChIKey
FIOPOFGFMYGSLQ-UHFFFAOYSA-N
Compound name
7-(4-methoxyphenyl)-3-propan-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

269.12766 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.13494 161.2
[M+Na]+ 292.11688 177.1
[M+NH4]+ 287.16148 167.9
[M+K]+ 308.09082 172.3
[M-H]- 268.12038 163.0
[M+Na-2H]- 290.10233 169.4
[M]+ 269.12711 164.0
[M]- 269.12821 164.0
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