CID 1872876

154496-66-9

Structural Information

Molecular Formula
C15H19N3S
SMILES
CC1=CC(=NC(=N1)SC(C)C)NCC2=CC=CC=C2
InChI
InChI=1S/C15H19N3S/c1-11(2)19-15-17-12(3)9-14(18-15)16-10-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3,(H,16,17,18)
InChIKey
GGWSRDHQTHLTSI-UHFFFAOYSA-N
Compound name
N-benzyl-6-methyl-2-propan-2-ylsulfanylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.12997 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13725 162.4
[M+Na]+ 296.11919 169.9
[M-H]- 272.12269 166.5
[M+NH4]+ 291.16379 176.5
[M+K]+ 312.09313 164.5
[M+H-H2O]+ 256.12723 153.5
[M+HCOO]- 318.12817 178.7
[M+CH3COO]- 332.14382 201.9
[M+Na-2H]- 294.10464 165.1
[M]+ 273.12942 164.5
[M]- 273.13052 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.