CID 91944

55921-72-7

Structural Information

Molecular Formula
C14H25N5OS
SMILES
CCCOC1=NC(=NC(=C1SC)N2CCN(CC2)C)NC
InChI
InChI=1S/C14H25N5OS/c1-5-10-20-13-11(21-4)12(16-14(15-2)17-13)19-8-6-18(3)7-9-19/h5-10H2,1-4H3,(H,15,16,17)
InChIKey
QQKRZANWFLYUMS-UHFFFAOYSA-N
Compound name
N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.17798 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.18526 175.0
[M+Na]+ 334.16720 186.4
[M+NH4]+ 329.21180 181.2
[M+K]+ 350.14114 177.9
[M-H]- 310.17070 177.2
[M+Na-2H]- 332.15265 179.6
[M]+ 311.17743 177.5
[M]- 311.17853 177.5
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.