CID 3055904

1,2,4-triazolo(4,3-b)(1,2,4)triazine, 6,7-diphenyl-3-methyl-

Structural Information

Molecular Formula
C17H13N5
SMILES
CC1=NN=C2N1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C17H13N5/c1-12-19-20-17-18-15(13-8-4-2-5-9-13)16(21-22(12)17)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey
LPGVFNBMDVVHJO-UHFFFAOYSA-N
Compound name
3-methyl-6,7-diphenyl-[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

287.1171 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12438 168.1
[M+Na]+ 310.10632 179.9
[M-H]- 286.10982 173.1
[M+NH4]+ 305.15092 179.4
[M+K]+ 326.08026 172.1
[M+H-H2O]+ 270.11436 156.0
[M+HCOO]- 332.11530 187.5
[M+CH3COO]- 346.13095 179.3
[M+Na-2H]- 308.09177 175.3
[M]+ 287.11655 169.9
[M]- 287.11765 169.9
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