CID 202181

7644-66-8

Structural Information

Molecular Formula

C₁₆H₁₈N₄

SMILES

CC1C(N=C(NN1C)C2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4/c1-12-15(13-7-4-3-5-8-13)18-16(19-20(12)2)14-9-6-10-17-11-14/h3-12,15H,1-2H3,(H,18,19)

InChIKey

WECSIJRHAJTOBH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 266.15314 Da
Monoisotopic Mass: 2.2
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]+	267.160416	166.3
[M+Na]+	289.142358	173.9
[M-H]-	265.145864	168.9
[M+NH4]+	284.186963	176.2
[M+K]+	305.116298	166.9
[M+H-H2O]+	249.150400	154.8
[M+HCOO]-	311.151341	181.3
[M+CH3COO]-	325.166991	175.6
[M+Na-2H]-	287.127806	171.1
[M]+	266.15259142	161.8
[M]-	266.15368858	161.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe