CID 139597570

Ns00007242

Structural Information

Molecular Formula

C₁₁H₁₉N₅OS

SMILES

CC(C)(C)NC1=NC(=NC(=N1)NC2CC2)S(=O)C

InChI

InChI=1S/C11H19N5OS/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)18(4)17/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)

InChIKey

VZKQTLMMAWDPBI-UHFFFAOYSA-N

Compound name

2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfinyl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 269.13104 Da
Monoisotopic Mass: 1.6
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]+	270.138316	165.3
[M+Na]+	292.120258	174.2
[M-H]-	268.123764	168.9
[M+NH4]+	287.164863	173.4
[M+K]+	308.094198	168.6
[M+H-H2O]+	252.128300	156.9
[M+HCOO]-	314.129241	180.7
[M+CH3COO]-	328.144891	204.1
[M+Na-2H]-	290.105706	168.5
[M]+	269.13049142	169.1
[M]-	269.13158858	169.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.