CID 15604010

Ametoctradin

Structural Information

Molecular Formula
C15H25N5
SMILES
CCCCCCCCC1=C(N2C(=NC=N2)N=C1CC)N
InChI
InChI=1S/C15H25N5/c1-3-5-6-7-8-9-10-12-13(4-2)19-15-17-11-18-20(15)14(12)16/h11H,3-10,16H2,1-2H3
InChIKey
GGKQIOFASHYUJZ-UHFFFAOYSA-N
Compound name
5-ethyl-6-octyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

7
References

9451
Patents

275.211 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.21828 167.8
[M+Na]+ 298.20022 180.0
[M+NH4]+ 293.24482 174.0
[M+K]+ 314.17416 174.3
[M-H]- 274.20372 168.2
[M+Na-2H]- 296.18567 172.0
[M]+ 275.21045 169.4
[M]- 275.21155 169.4
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