CID 5531

Trapidil

Structural Information

Molecular Formula
C10H15N5
SMILES
CCN(CC)C1=CC(=NC2=NC=NN12)C
InChI
InChI=1S/C10H15N5/c1-4-14(5-2)9-6-8(3)13-10-11-7-12-15(9)10/h6-7H,4-5H2,1-3H3
InChIKey
GSNOZLZNQMLSKJ-UHFFFAOYSA-N
Compound name
N,N-diethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

308
References

9787
Patents

205.13275 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.14003 145.9
[M+Na]+ 228.12197 156.6
[M-H]- 204.12547 147.2
[M+NH4]+ 223.16657 163.3
[M+K]+ 244.09591 154.1
[M+H-H2O]+ 188.13001 136.7
[M+HCOO]- 250.13095 168.4
[M+CH3COO]- 264.14660 193.1
[M+Na-2H]- 226.10742 153.3
[M]+ 205.13220 150.5
[M]- 205.13330 150.5
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