CID 3070756

1,2,4-triazolo(4,3-b)(1,2,4)triazine, 3-(methoxymethyl)-7-(4-methylphenyl)-

Structural Information

Molecular Formula
C13H13N5O
SMILES
CC1=CC=C(C=C1)C2=NC3=NN=C(N3N=C2)COC
InChI
InChI=1S/C13H13N5O/c1-9-3-5-10(6-4-9)11-7-14-18-12(8-19-2)16-17-13(18)15-11/h3-7H,8H2,1-2H3
InChIKey
ADVUVZSEPXOJRZ-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-7-(4-methylphenyl)-[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

255.11201 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.11929 158.6
[M+Na]+ 278.10123 170.8
[M-H]- 254.10473 160.7
[M+NH4]+ 273.14583 171.9
[M+K]+ 294.07517 165.5
[M+H-H2O]+ 238.10927 148.0
[M+HCOO]- 300.11021 178.5
[M+CH3COO]- 314.12586 170.6
[M+Na-2H]- 276.08668 165.8
[M]+ 255.11146 163.2
[M]- 255.11256 163.2
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

patents stripe