CID 68678

Mezilamine

Structural Information

Molecular Formula
C11H18ClN5S
SMILES
CNC1=NC(=C(C(=N1)Cl)SC)N2CCN(CC2)C
InChI
InChI=1S/C11H18ClN5S/c1-13-11-14-9(12)8(18-3)10(15-11)17-6-4-16(2)5-7-17/h4-7H2,1-3H3,(H,13,14,15)
InChIKey
ITYXRJDDBZMFAY-UHFFFAOYSA-N
Compound name
4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

35
Patents

287.09714 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.10442 164.9
[M+Na]+ 310.08636 178.2
[M+NH4]+ 305.13096 172.5
[M+K]+ 326.06030 169.0
[M-H]- 286.08986 167.7
[M+Na-2H]- 308.07181 170.7
[M]+ 287.09659 168.2
[M]- 287.09769 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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