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]+ 307.05528 159.6
[M+Na]+ 329.03722 168.7
[M-H]- 305.04072 166.5
[M+NH4]+ 324.08182 175.1
[M+K]+ 345.01116 156.7
[M+H-H2O]+ 289.04526 156.0
[M+HCOO]- 351.04620 181.0
[M+CH3COO]- 365.06185 206.8
[M+Na-2H]- 327.02267 167.8
[M]+ 306.04745 177.2
[M]- 306.04855 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.