CID 3046310

2-pyrimidinamine, 5-bromo-4-chloro-n-methyl-n-(4-methylphenyl)-6-(4-methyl-1-piperazinyl)-

Structural Information

Molecular Formula
C17H21BrClN5
SMILES
CC1=CC=C(C=C1)N(C)C2=NC(=C(C(=N2)Cl)Br)N3CCN(CC3)C
InChI
InChI=1S/C17H21BrClN5/c1-12-4-6-13(7-5-12)23(3)17-20-15(19)14(18)16(21-17)24-10-8-22(2)9-11-24/h4-7H,8-11H2,1-3H3
InChIKey
FIOFOLHZHKPHHD-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-N-methyl-N-(4-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.0669 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.07418 187.6
[M+Na]+ 432.05612 193.6
[M+NH4]+ 427.10072 191.5
[M+K]+ 448.03006 191.4
[M-H]- 408.05962 191.1
[M+Na-2H]- 430.04157 192.7
[M]+ 409.06635 188.7
[M]- 409.06745 188.7
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.