CID 3043448

Pyrimidine, 4-methoxy-2-(methylamino)-6-(4-methyl-1-piperazinyl)-5-(methylthio)-, monohydrochloride

Structural Information

Molecular Formula
C12H21N5OS
SMILES
CNC1=NC(=C(C(=N1)OC)SC)N2CCN(CC2)C
InChI
InChI=1S/C12H21N5OS/c1-13-12-14-10(9(19-4)11(15-12)18-3)17-7-5-16(2)6-8-17/h5-8H2,1-4H3,(H,13,14,15)
InChIKey
IFTGLCRRJVYZHD-UHFFFAOYSA-N
Compound name
4-methoxy-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.14667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.15395 166.9
[M+Na]+ 306.13589 174.6
[M-H]- 282.13939 168.1
[M+NH4]+ 301.18049 178.1
[M+K]+ 322.10983 170.1
[M+H-H2O]+ 266.14393 157.3
[M+HCOO]- 328.14487 178.4
[M+CH3COO]- 342.16052 203.3
[M+Na-2H]- 304.12134 167.6
[M]+ 283.14612 167.5
[M]- 283.14722 167.5
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.