CID 3044433

2-pyrimidinamine, 4,6-bis(3-(dimethylamino)propoxy)-n,n-diethyl-5-(methylthio)-, dihydrobromide

Structural Information

Molecular Formula
C19H37N5O2S
SMILES
CCN(CC)C1=NC(=C(C(=N1)OCCCN(C)C)SC)OCCCN(C)C
InChI
InChI=1S/C19H37N5O2S/c1-8-24(9-2)19-20-17(25-14-10-12-22(3)4)16(27-7)18(21-19)26-15-11-13-23(5)6/h8-15H2,1-7H3
InChIKey
VWZSPSNQJOFYSW-UHFFFAOYSA-N
Compound name
4,6-bis[3-(dimethylamino)propoxy]-N,N-diethyl-5-methylsulfanylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.26678 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.27406 200.7
[M+Na]+ 422.25600 204.0
[M-H]- 398.25950 204.6
[M+NH4]+ 417.30060 211.1
[M+K]+ 438.22994 203.2
[M+H-H2O]+ 382.26404 189.7
[M+HCOO]- 444.26498 218.6
[M+CH3COO]- 458.28063 242.4
[M+Na-2H]- 420.24145 198.4
[M]+ 399.26623 212.6
[M]- 399.26733 212.6
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.