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]+ 229.144776 151.3
[M+Na]+ 251.126718 156.8
[M-H]- 227.130224 155.6
[M+NH4]+ 246.171323 165.9
[M+K]+ 267.100658 153.5
[M+H-H2O]+ 211.134760 141.4
[M+HCOO]- 273.135701 175.4
[M+CH3COO]- 287.151351 196.9
[M+Na-2H]- 249.112166 159.5
[M]+ 228.13695142 149.9
[M]- 228.13804858 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.