CID 87882

N,n-diethyl-n'-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylenediamine

Structural Information

Molecular Formula
C14H20N4O
SMILES
CCN(CC)CCNC1=NC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C14H20N4O/c1-3-18(4-2)11-10-15-14-16-13(17-19-14)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,16,17)
InChIKey
HFXOMPIWXDVHSZ-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(3-phenyl-1,2,4-oxadiazol-5-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.1637 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.170976 161.5
[M+Na]+ 283.152918 167.4
[M-H]- 259.156424 167.3
[M+NH4]+ 278.197523 175.9
[M+K]+ 299.126858 166.0
[M+H-H2O]+ 243.160960 151.7
[M+HCOO]- 305.161901 185.9
[M+CH3COO]- 319.177551 203.6
[M+Na-2H]- 281.138366 167.2
[M]+ 260.16315142 164.6
[M]- 260.16424858 164.6
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

patents stripe