CID 3044435

2-pyrimidinamine, 4,6-bis(2-(dimethylamino)ethoxy)-n,n-diethyl-5-(methylthio)-, dihydrobromide

Structural Information

Molecular Formula
C17H33N5O2S
SMILES
CCN(CC)C1=NC(=C(C(=N1)OCCN(C)C)SC)OCCN(C)C
InChI
InChI=1S/C17H33N5O2S/c1-8-22(9-2)17-18-15(23-12-10-20(3)4)14(25-7)16(19-17)24-13-11-21(5)6/h8-13H2,1-7H3
InChIKey
NQEHFJCEVDDWPG-UHFFFAOYSA-N
Compound name
4,6-bis[2-(dimethylamino)ethoxy]-N,N-diethyl-5-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.2355 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.24278 191.3
[M+Na]+ 394.22472 199.3
[M+NH4]+ 389.26932 196.6
[M+K]+ 410.19866 192.3
[M-H]- 370.22822 193.5
[M+Na-2H]- 392.21017 194.7
[M]+ 371.23495 193.2
[M]- 371.23605 193.2
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.