CID 201985

7220-61-3

Structural Information

Molecular Formula

C₁₂H₁₅N₃

SMILES

CN1CC(N=C(N1)C=C)C2=CC=CC=C2

InChI

InChI=1S/C12H15N3/c1-3-12-13-11(9-15(2)14-12)10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3,(H,13,14)

InChIKey

UMNCGKLKRMNYAT-UHFFFAOYSA-N

Compound name

3-ethenyl-1-methyl-5-phenyl-5,6-dihydro-2H-1,2,4-triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 201.1266 Da
Monoisotopic Mass: 1.7
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]+	202.13388	147.7
[M+Na]+	224.11582	155.0
[M-H]-	200.11932	148.5
[M+NH4]+	219.16042	162.0
[M+K]+	240.08976	149.8
[M+H-H2O]+	184.12386	138.7
[M+HCOO]-	246.12480	164.5
[M+CH3COO]-	260.14045	158.5
[M+Na-2H]-	222.10127	152.9
[M]+	201.12605	142.9
[M]-	201.12715	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe