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 145.9
[M+Na]+ 248.06734 160.7
[M+NH4]+ 243.11194 153.8
[M+K]+ 264.04128 155.8
[M-H]- 224.07084 147.1
[M+Na-2H]- 246.05279 152.7
[M]+ 225.07757 148.6
[M]- 225.07867 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.