CID 3070757

86869-98-9

Structural Information

Molecular Formula
C15H15N5
SMILES
C1CCC(C1)C2=NN=C3N2N=CC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C15H15N5/c1-2-6-11(7-3-1)13-10-16-20-14(12-8-4-5-9-12)18-19-15(20)17-13/h1-3,6-7,10,12H,4-5,8-9H2
InChIKey
DSLXNVNELKWDPQ-UHFFFAOYSA-N
Compound name
3-cyclopentyl-7-phenyl-[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

265.13275 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.14003 159.8
[M+Na]+ 288.12197 169.3
[M-H]- 264.12547 164.4
[M+NH4]+ 283.16657 173.5
[M+K]+ 304.09591 163.5
[M+H-H2O]+ 248.13001 148.2
[M+HCOO]- 310.13095 178.2
[M+CH3COO]- 324.14660 170.9
[M+Na-2H]- 286.10742 163.4
[M]+ 265.13220 158.9
[M]- 265.13330 158.9
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