CID 3041536

Brn 0915989

Structural Information

Molecular Formula
C10H15N5O
SMILES
CCN(CCO)C1=CC(=NC2=NC=NN12)C
InChI
InChI=1S/C10H15N5O/c1-3-14(4-5-16)9-6-8(2)13-10-11-7-12-15(9)10/h6-7,16H,3-5H2,1-2H3
InChIKey
ICMRDUVKIVZZMD-UHFFFAOYSA-N
Compound name
2-[ethyl-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.12766 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.134936 149.1
[M+Na]+ 244.116878 159.2
[M-H]- 220.120384 149.2
[M+NH4]+ 239.161483 165.1
[M+K]+ 260.090818 156.5
[M+H-H2O]+ 204.124920 140.1
[M+HCOO]- 266.125861 170.4
[M+CH3COO]- 280.141511 192.6
[M+Na-2H]- 242.102326 156.1
[M]+ 221.12711142 153.3
[M]- 221.12820858 153.3
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.