CID 203313

14153-46-9

Structural Information

Molecular Formula

C₁₁H₁₅N₃

SMILES

CC1=NC(CN(N1)C)C2=CC=CC=C2

InChI

InChI=1S/C11H15N3/c1-9-12-11(8-14(2)13-9)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,12,13)

InChIKey

MAVXVTVCTFGJIO-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 189.1266 Da
Monoisotopic Mass: 1.2
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]+	190.13388	144.4
[M+Na]+	212.11582	151.8
[M-H]-	188.11932	145.3
[M+NH4]+	207.16042	159.2
[M+K]+	228.08976	147.5
[M+H-H2O]+	172.12386	135.4
[M+HCOO]-	234.12480	161.3
[M+CH3COO]-	248.14045	155.5
[M+Na-2H]-	210.10127	150.1
[M]+	189.12605	139.9
[M]-	189.12715	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe