CID 3053052

As-triazine, 3-(pentyloxy)-5-phenyl-

Structural Information

Molecular Formula

C₁₄H₁₇N₃O

SMILES

CCCCCOC1=NC(=CN=N1)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O/c1-2-3-7-10-18-14-16-13(11-15-17-14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3

InChIKey

GBWOVXNOZNKGDR-UHFFFAOYSA-N

Compound name

3-pentoxy-5-phenyl-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.13716 Da
Monoisotopic Mass: 3.0
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]+	244.144436	156.9
[M+Na]+	266.126378	164.4
[M-H]-	242.129884	158.9
[M+NH4]+	261.170983	169.9
[M+K]+	282.100318	160.2
[M+H-H2O]+	226.134420	146.6
[M+HCOO]-	288.135361	177.3
[M+CH3COO]-	302.151011	193.3
[M+Na-2H]-	264.111826	164.3
[M]+	243.13661142	159.1
[M]-	243.13770858	159.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe