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 163.0
[M+Na]+ 292.11688 174.4
[M-H]- 268.12038 165.1
[M+NH4]+ 287.16148 175.6
[M+K]+ 308.09082 169.4
[M+H-H2O]+ 252.12492 152.4
[M+HCOO]- 314.12586 181.6
[M+CH3COO]- 328.14151 174.5
[M+Na-2H]- 290.10233 168.6
[M]+ 269.12711 167.4
[M]- 269.12821 167.4
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