CID 3043436

2,4-pyrimidinediamine, n(sup 4)-(2-(bis(1-methylethyl)amino)ethyl)-6-methoxy-n(sup 2)-methyl-5-(methylthio)-n(sup 2)-phenyl-, dihydrobromide

Structural Information

Molecular Formula
C21H33N5OS
SMILES
CC(C)N(CCNC1=C(C(=NC(=N1)N(C)C2=CC=CC=C2)OC)SC)C(C)C
InChI
InChI=1S/C21H33N5OS/c1-15(2)26(16(3)4)14-13-22-19-18(28-7)20(27-6)24-21(23-19)25(5)17-11-9-8-10-12-17/h8-12,15-16H,13-14H2,1-7H3,(H,22,23,24)
InChIKey
CUDVFMRMTXRIGP-UHFFFAOYSA-N
Compound name
4-N-[2-[di(propan-2-yl)amino]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

403.24057 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.24785 198.5
[M+Na]+ 426.22979 208.2
[M+NH4]+ 421.27439 204.6
[M+K]+ 442.20373 200.6
[M-H]- 402.23329 203.3
[M+Na-2H]- 424.21524 204.9
[M]+ 403.24002 201.6
[M]- 403.24112 201.6
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.