CID 3043385

2,4-pyrimidinediamine, n(sup 4)-(2-(dimethylamino)ethyl)-6-methoxy-n(sup 2)-methyl-5-(methylthio)-n(sup 2)-phenyl-, monohydrobromide

Structural Information

Molecular Formula
C17H25N5OS
SMILES
CN(C)CCNC1=C(C(=NC(=N1)N(C)C2=CC=CC=C2)OC)SC
InChI
InChI=1S/C17H25N5OS/c1-21(2)12-11-18-15-14(24-5)16(23-4)20-17(19-15)22(3)13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3,(H,18,19,20)
InChIKey
ABRAZJGSMREVBQ-UHFFFAOYSA-N
Compound name
4-N-[2-(dimethylamino)ethyl]-6-methoxy-2-N-methyl-5-methylsulfanyl-2-N-phenylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.17798 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.18526 182.1
[M+Na]+ 370.16720 193.5
[M+NH4]+ 365.21180 189.1
[M+K]+ 386.14114 185.0
[M-H]- 346.17070 187.5
[M+Na-2H]- 368.15265 190.0
[M]+ 347.17743 185.6
[M]- 347.17853 185.6
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.