CID 53212071

2-(chloromethyl)-n,n,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Structural Information

Molecular Formula
C9H12ClN5
SMILES
CC1=NC2=NC(=NN2C(=C1)N(C)C)CCl
InChI
InChI=1S/C9H12ClN5/c1-6-4-8(14(2)3)15-9(11-6)12-7(5-10)13-15/h4H,5H2,1-3H3
InChIKey
PRWCLRVIYPVICK-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-N,N,5-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07812 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08540 147.8
[M+Na]+ 248.06734 160.4
[M-H]- 224.07084 149.2
[M+NH4]+ 243.11194 165.4
[M+K]+ 264.04128 156.5
[M+H-H2O]+ 208.07538 139.1
[M+HCOO]- 270.07632 165.8
[M+CH3COO]- 284.09197 161.1
[M+Na-2H]- 246.05279 154.3
[M]+ 225.07757 154.1
[M]- 225.07867 154.1
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.