CID 9588903

154496-67-0

Structural Information

Molecular Formula

C₁₅H₁₈N₄S

SMILES

CC1=CC(=NC(=N1)SC(C)C)N/N=C/C2=CC=CC=C2

InChI

InChI=1S/C15H18N4S/c1-11(2)20-15-17-12(3)9-14(18-15)19-16-10-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,17,18,19)/b16-10+

InChIKey

VOQBIOCAYWRAMG-MHWRWJLKSA-N

Compound name

N-[(E)-benzylideneamino]-6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 286.1252 Da
Monoisotopic Mass: 4.2
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]+	287.132476	165.8
[M+Na]+	309.114418	173.2
[M-H]-	285.117924	171.2
[M+NH4]+	304.159023	179.6
[M+K]+	325.088358	167.9
[M+H-H2O]+	269.122460	156.3
[M+HCOO]-	331.123401	184.8
[M+CH3COO]-	345.139051	207.9
[M+Na-2H]-	307.099866	169.5
[M]+	286.12465142	168.2
[M]-	286.12574858	168.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.