CID 3043375

2,4-pyrimidinediamine, 6-chloro-n(sup 4)-(2-(diethylamino)ethyl)-n(sup 2)-methyl-n(sup 2)-(4-methylphenyl)-5-(methylthio)-, monohydrobromide

Structural Information

Molecular Formula
C19H28ClN5S
SMILES
CCN(CC)CCNC1=C(C(=NC(=N1)N(C)C2=CC=C(C=C2)C)Cl)SC
InChI
InChI=1S/C19H28ClN5S/c1-6-25(7-2)13-12-21-18-16(26-5)17(20)22-19(23-18)24(4)15-10-8-14(3)9-11-15/h8-11H,6-7,12-13H2,1-5H3,(H,21,22,23)
InChIKey
PINWGCIMQPZOSW-UHFFFAOYSA-N
Compound name
6-chloro-4-N-[2-(diethylamino)ethyl]-2-N-methyl-2-N-(4-methylphenyl)-5-methylsulfanylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.17538 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18266 195.9
[M+Na]+ 416.16460 208.4
[M+NH4]+ 411.20920 203.3
[M+K]+ 432.13854 198.1
[M-H]- 392.16810 201.7
[M+Na-2H]- 414.15005 203.3
[M]+ 393.17483 200.1
[M]- 393.17593 200.1
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.

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No patent data available for this compound.