CID 62824

(1,2,4)triazolo(1,5-a)pyrimidin-5(4h)-one, 2-amino-6-methyl-4-propyl-

Structural Information

Molecular Formula
C9H13N5O
SMILES
CCCN1C(=O)C(=CN2C1=NC(=N2)N)C
InChI
InChI=1S/C9H13N5O/c1-3-4-13-7(15)6(2)5-14-9(13)11-8(10)12-14/h5H,3-4H2,1-2H3,(H2,10,12)
InChIKey
UQDVRVNMIJAGRK-UHFFFAOYSA-N
Compound name
2-amino-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

277
Patents

207.11201 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.11929 145.5
[M+Na]+ 230.10123 158.5
[M-H]- 206.10473 145.9
[M+NH4]+ 225.14583 162.5
[M+K]+ 246.07517 154.4
[M+H-H2O]+ 190.10927 137.3
[M+HCOO]- 252.11021 167.6
[M+CH3COO]- 266.12586 189.8
[M+Na-2H]- 228.08668 151.5
[M]+ 207.11146 149.1
[M]- 207.11256 149.1
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