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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.140026	159.8
[M+Na]+	288.121968	169.3
[M-H]-	264.125474	164.4
[M+NH4]+	283.166573	173.5
[M+K]+	304.095908	163.5
[M+H-H2O]+	248.130010	148.2
[M+HCOO]-	310.130951	178.2
[M+CH3COO]-	324.146601	170.9
[M+Na-2H]-	286.107416	163.4
[M]+	265.13220142	158.9
[M]-	265.13329858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe