CID 15355831

39200-53-8

Structural Information

Molecular Formula

C₁₁H₁₈Cl₂N₄

SMILES

CCCCN(CCCC)C1=NC(=NC(=N1)Cl)Cl

InChI

InChI=1S/C11H18Cl2N4/c1-3-5-7-17(8-6-4-2)11-15-9(12)14-10(13)16-11/h3-8H2,1-2H3

InChIKey

IWGAEEKEEFSIGK-UHFFFAOYSA-N

Compound name

N,N-dibutyl-4,6-dichloro-1,3,5-triazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 276.09085 Da
Monoisotopic Mass: 4.9
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]+	277.09813	160.8
[M+Na]+	299.08007	169.3
[M-H]-	275.08357	160.3
[M+NH4]+	294.12467	174.9
[M+K]+	315.05401	164.6
[M+H-H2O]+	259.08811	152.4
[M+HCOO]-	321.08905	172.1
[M+CH3COO]-	335.10470	204.1
[M+Na-2H]-	297.06552	164.8
[M]+	276.09030	166.6
[M]-	276.09140	166.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe