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]+ 270.134936 163.0
[M+Na]+ 292.116878 174.4
[M-H]- 268.120384 165.1
[M+NH4]+ 287.161483 175.6
[M+K]+ 308.090818 169.4
[M+H-H2O]+ 252.124920 152.4
[M+HCOO]- 314.125861 181.6
[M+CH3COO]- 328.141511 174.5
[M+Na-2H]- 290.102326 168.6
[M]+ 269.12711142 167.4
[M]- 269.12820858 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