CID 53212070

4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine

Structural Information

Molecular Formula
C11H14ClN5O
SMILES
CC1=NC2=NC(=NN2C(=C1)N3CCOCC3)CCl
InChI
InChI=1S/C11H14ClN5O/c1-8-6-10(16-2-4-18-5-3-16)17-11(13-8)14-9(7-12)15-17/h6H,2-5,7H2,1H3
InChIKey
AWCDFXXNPAXJBL-UHFFFAOYSA-N
Compound name
4-[2-(chloromethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.08868 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09596 160.2
[M+Na]+ 290.07790 170.8
[M-H]- 266.08140 161.4
[M+NH4]+ 285.12250 172.1
[M+K]+ 306.05184 166.3
[M+H-H2O]+ 250.08594 149.3
[M+HCOO]- 312.08688 170.6
[M+CH3COO]- 326.10253 170.8
[M+Na-2H]- 288.06335 164.6
[M]+ 267.08813 162.1
[M]- 267.08923 162.1
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.