CID 88765

21054-97-7

Structural Information

Molecular Formula

C₁₄H₁₅N₃

SMILES

C1CN=C(NN1)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C14H15N3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-17-14/h1-7,16H,8-10H2,(H,15,17)

InChIKey

OHSMLUATMZUCHX-UHFFFAOYSA-N

Compound name

3-(naphthalen-1-ylmethyl)-1,2,5,6-tetrahydro-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.1266 Da
Monoisotopic Mass: 1.8
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]+	226.133876	152.0
[M+Na]+	248.115818	158.1
[M-H]-	224.119324	151.8
[M+NH4]+	243.160423	165.1
[M+K]+	264.089758	151.2
[M+H-H2O]+	208.123860	142.4
[M+HCOO]-	270.124801	166.2
[M+CH3COO]-	284.140451	161.4
[M+Na-2H]-	246.101266	159.7
[M]+	225.12605142	145.1
[M]-	225.12714858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe