CID 3070761

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

Structural Information

Molecular Formula
C14H15N5
SMILES
CC1=CC=C(C=C1)C2=NC3=NN=C(N3N=C2)C(C)C
InChI
InChI=1S/C14H15N5/c1-9(2)13-17-18-14-16-12(8-15-19(13)14)11-6-4-10(3)5-7-11/h4-9H,1-3H3
InChIKey
QUEAKLMNIRRNQN-UHFFFAOYSA-N
Compound name
7-(4-methylphenyl)-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

253.13275 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.14003 160.1
[M+Na]+ 276.12197 171.7
[M-H]- 252.12547 162.1
[M+NH4]+ 271.16657 173.4
[M+K]+ 292.09591 166.1
[M+H-H2O]+ 236.13001 149.6
[M+HCOO]- 298.13095 178.5
[M+CH3COO]- 312.14660 171.7
[M+Na-2H]- 274.10742 165.7
[M]+ 253.13220 163.2
[M]- 253.13330 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