CID 63873188

N-(2-aminoethyl)-n-benzyl-5-bromopyrimidin-2-amine hydrochloride

Structural Information

Molecular Formula
C13H15BrN4
SMILES
C1=CC=C(C=C1)CN(CCN)C2=NC=C(C=N2)Br
InChI
InChI=1S/C13H15BrN4/c14-12-8-16-13(17-9-12)18(7-6-15)10-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10,15H2
InChIKey
MKMJGVMQEYBHBZ-UHFFFAOYSA-N
Compound name
N'-benzyl-N'-(5-bromopyrimidin-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.055276 159.6
[M+Na]+ 329.037218 168.7
[M-H]- 305.040724 166.5
[M+NH4]+ 324.081823 175.1
[M+K]+ 345.011158 156.7
[M+H-H2O]+ 289.045260 156.0
[M+HCOO]- 351.046201 181.0
[M+CH3COO]- 365.061851 206.8
[M+Na-2H]- 327.022666 167.8
[M]+ 306.04745142 177.2
[M]- 306.04854858 177.2
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.