CID 63873188

2309462-01-7

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 161.6
[M+Na]+ 329.03722 165.2
[M+NH4]+ 324.08182 165.9
[M+K]+ 345.01116 164.1
[M-H]- 305.04072 164.6
[M+Na-2H]- 327.02267 167.5
[M]+ 306.04745 161.7
[M]- 306.04855 161.7
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.