CID 52938764

1305116-69-1

Structural Information

Molecular Formula
C14H18N8OS
SMILES
CC1=NC(=C2C(=N1)N(N=N2)C[C@H]3CN(CCO3)CC4=NC=CS4)N
InChI
InChI=1S/C14H18N8OS/c1-9-17-13(15)12-14(18-9)22(20-19-12)7-10-6-21(3-4-23-10)8-11-16-2-5-24-11/h2,5,10H,3-4,6-8H2,1H3,(H2,15,17,18)/t10-/m1/s1
InChIKey
QGTJGTFOISKMAD-SNVBAGLBSA-N
Compound name
5-methyl-3-[[(2R)-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

346.13242 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13970 178.3
[M+Na]+ 369.12164 189.7
[M-H]- 345.12514 181.9
[M+NH4]+ 364.16624 186.0
[M+K]+ 385.09558 184.3
[M+H-H2O]+ 329.12968 168.5
[M+HCOO]- 391.13062 188.7
[M+CH3COO]- 405.14627 187.6
[M+Na-2H]- 367.10709 177.0
[M]+ 346.13187 180.6
[M]- 346.13297 180.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe