CID 27501

Imolamine

Structural Information

Molecular Formula
C14H20N4O
SMILES
CCN(CC)CCN1C(=NOC1=N)C2=CC=CC=C2
InChI
InChI=1S/C14H20N4O/c1-3-17(4-2)10-11-18-13(16-19-14(18)15)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3
InChIKey
MGSPDRWOUCPKNZ-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(5-imino-3-phenyl-1,2,4-oxadiazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

9
References

648
Patents

260.1637 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.17098 161.7
[M+Na]+ 283.15292 168.8
[M-H]- 259.15642 168.0
[M+NH4]+ 278.19752 176.4
[M+K]+ 299.12686 166.8
[M+H-H2O]+ 243.16096 152.2
[M+HCOO]- 305.16190 186.3
[M+CH3COO]- 319.17755 204.1
[M+Na-2H]- 281.13837 166.5
[M]+ 260.16315 164.5
[M]- 260.16425 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe