CID 61015465

1183731-32-9

Structural Information

Molecular Formula
C13H16N4
SMILES
C1=CC=C(C=C1)CN(CCN)C2=NC=CC=N2
InChI
InChI=1S/C13H16N4/c14-7-10-17(13-15-8-4-9-16-13)11-12-5-2-1-3-6-12/h1-6,8-9H,7,10-11,14H2
InChIKey
ODZXBDNEXMJYIZ-UHFFFAOYSA-N
Compound name
N'-benzyl-N'-pyrimidin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.1375 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.14478 151.3
[M+Na]+ 251.12672 156.8
[M-H]- 227.13022 155.6
[M+NH4]+ 246.17132 165.9
[M+K]+ 267.10066 153.5
[M+H-H2O]+ 211.13476 141.4
[M+HCOO]- 273.13570 175.4
[M+CH3COO]- 287.15135 196.9
[M+Na-2H]- 249.11217 159.5
[M]+ 228.13695 149.9
[M]- 228.13805 149.9
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.