CID 3070104

6-chloro-5-(2,3-dibromopropyl)-n,2-dimethyl-4-pyrimidinamine

Structural Information

Molecular Formula
C9H12Br2ClN3
SMILES
CC1=NC(=C(C(=N1)Cl)CC(CBr)Br)NC
InChI
InChI=1S/C9H12Br2ClN3/c1-5-14-8(12)7(3-6(11)4-10)9(13-2)15-5/h6H,3-4H2,1-2H3,(H,13,14,15)
InChIKey
WNYQCYJYKZEAKU-UHFFFAOYSA-N
Compound name
6-chloro-5-(2,3-dibromopropyl)-N,2-dimethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.90866 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.91594 148.4
[M+Na]+ 377.89788 160.2
[M-H]- 353.90138 153.2
[M+NH4]+ 372.94248 164.7
[M+K]+ 393.87182 142.4
[M+H-H2O]+ 337.90592 155.3
[M+HCOO]- 399.90686 159.3
[M+CH3COO]- 413.92251 213.6
[M+Na-2H]- 375.88333 154.6
[M]+ 354.90811 184.1
[M]- 354.90921 184.1
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.

Patent stripe

No patent data available for this compound.