CID 3043378

55417-09-9

Structural Information

Molecular Formula
C22H34ClN5O2S
SMILES
CC(C)N(CCNC1=C(C(=NC(=N1)N(C)C2=CC(=C(C=C2)OC)OC)Cl)SC)C(C)C
InChI
InChI=1S/C22H34ClN5O2S/c1-14(2)28(15(3)4)12-11-24-21-19(31-8)20(23)25-22(26-21)27(5)16-9-10-17(29-6)18(13-16)30-7/h9-10,13-15H,11-12H2,1-8H3,(H,24,25,26)
InChIKey
ZVGWTMJWRJDCRM-UHFFFAOYSA-N
Compound name
6-chloro-2-N-(3,4-dimethoxyphenyl)-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.2122 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.21948 214.3
[M+Na]+ 490.20142 224.8
[M+NH4]+ 485.24602 219.8
[M+K]+ 506.17536 216.8
[M-H]- 466.20492 218.7
[M+Na-2H]- 488.18687 219.5
[M]+ 467.21165 217.7
[M]- 467.21275 217.7
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.