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]+ 222.13494 149.1
[M+Na]+ 244.11688 159.2
[M-H]- 220.12038 149.2
[M+NH4]+ 239.16148 165.1
[M+K]+ 260.09082 156.5
[M+H-H2O]+ 204.12492 140.1
[M+HCOO]- 266.12586 170.4
[M+CH3COO]- 280.14151 192.6
[M+Na-2H]- 242.10233 156.1
[M]+ 221.12711 153.3
[M]- 221.12821 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.