CID 3046312

1,2-ethanediamine, n,n-bis(1-methylethyl)-n'-(5-bromo-6-chloro-2-(methyl(4-methylphenyl)amino)-4-pyrimidinyl)-, hydrochloride

Structural Information

Molecular Formula
C20H29BrClN5
SMILES
CC1=CC=C(C=C1)N(C)C2=NC(=C(C(=N2)Cl)Br)NCCN(C(C)C)C(C)C
InChI
InChI=1S/C20H29BrClN5/c1-13(2)27(14(3)4)12-11-23-19-17(21)18(22)24-20(25-19)26(6)16-9-7-15(5)8-10-16/h7-10,13-14H,11-12H2,1-6H3,(H,23,24,25)
InChIKey
DFIMDJFCAZHYCU-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-4-N-[2-[di(propan-2-yl)amino]ethyl]-2-N-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.1295 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.13678 199.0
[M+Na]+ 476.11872 201.8
[M+NH4]+ 471.16332 202.2
[M+K]+ 492.09266 200.8
[M-H]- 452.12222 202.2
[M+Na-2H]- 474.10417 202.4
[M]+ 453.12895 199.4
[M]- 453.13005 199.4
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.