CID 3051991

St 790

Structural Information

Molecular Formula

C₂₅H₃₄N₆O

SMILES

CCN(CC)CCN1C(=O)N=C(C(=N1)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C25H34N6O/c1-7-30(8-2)17-18-31-25(32)26-23(19-9-13-21(14-10-19)28(3)4)24(27-31)20-11-15-22(16-12-20)29(5)6/h9-16H,7-8,17-18H2,1-6H3

InChIKey

DWJREWROEBJUHS-UHFFFAOYSA-N

Compound name

2-[2-(diethylamino)ethyl]-5,6-bis[4-(dimethylamino)phenyl]-1,2,4-triazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 434.27942 Da
Monoisotopic Mass: 3.8
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]+	435.286696	212.3
[M+Na]+	457.268638	217.7
[M-H]-	433.272144	221.9
[M+NH4]+	452.313243	218.7
[M+K]+	473.242578	213.9
[M+H-H2O]+	417.276680	198.4
[M+HCOO]-	479.277621	234.7
[M+CH3COO]-	493.293271	250.3
[M+Na-2H]-	455.254086	213.2
[M]+	434.27887142	218.1
[M]-	434.27996858	218.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe