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

9895
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.