CID 3044437

2-pyrimidinamine, 4,6-bis(2-(bis(1-methylethyl)amino)ethoxy)-n,n-diethyl-5-(methylthio)-, dihydrobromide

Structural Information

Molecular Formula
C25H49N5O2S
SMILES
CCN(CC)C1=NC(=C(C(=N1)OCCN(C(C)C)C(C)C)SC)OCCN(C(C)C)C(C)C
InChI
InChI=1S/C25H49N5O2S/c1-12-28(13-2)25-26-23(31-16-14-29(18(3)4)19(5)6)22(33-11)24(27-25)32-17-15-30(20(7)8)21(9)10/h18-21H,12-17H2,1-11H3
InChIKey
YOWAXWNBGCSWIN-UHFFFAOYSA-N
Compound name
4,6-bis[2-[di(propan-2-yl)amino]ethoxy]-N,N-diethyl-5-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.3607 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.36798 225.9
[M+Na]+ 506.34992 225.6
[M-H]- 482.35342 229.1
[M+NH4]+ 501.39452 232.7
[M+K]+ 522.32386 226.0
[M+H-H2O]+ 466.35796 215.0
[M+HCOO]- 528.35890 237.9
[M+CH3COO]- 542.37455 262.8
[M+Na-2H]- 504.33537 217.2
[M]+ 483.36015 237.8
[M]- 483.36125 237.8
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.