CID 3044743

Brn 0513604

Structural Information

Molecular Formula

C₇H₁₂N₄S

SMILES

CCSC1=NC(=NC(=N1)NC)C

InChI

InChI=1S/C7H12N4S/c1-4-12-7-10-5(2)9-6(8-3)11-7/h4H2,1-3H3,(H,8,9,10,11)

InChIKey

UYUYHXZGBCQIBZ-UHFFFAOYSA-N

Compound name

4-ethylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 184.07826 Da
Monoisotopic Mass: 1.9
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]+	185.08554	137.9
[M+Na]+	207.06748	147.8
[M-H]-	183.07098	138.2
[M+NH4]+	202.11208	154.8
[M+K]+	223.04142	144.5
[M+H-H2O]+	167.07552	130.3
[M+HCOO]-	229.07646	155.0
[M+CH3COO]-	243.09211	184.4
[M+Na-2H]-	205.05293	142.7
[M]+	184.07771	140.7
[M]-	184.07881	140.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe