CID 138987300

1823229-87-3

Structural Information

Molecular Formula

C₉H₉ClN₄OS

SMILES

C1COCCN1C2=NC3=C(S2)C(=NC=N3)Cl

InChI

InChI=1S/C9H9ClN4OS/c10-7-6-8(12-5-11-7)13-9(16-6)14-1-3-15-4-2-14/h5H,1-4H2

InChIKey

QRJXQMJMMQKXIA-UHFFFAOYSA-N

Compound name

4-(7-chloro-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 256.01855 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.02583	150.2
[M+Na]+	279.00777	161.7
[M-H]-	255.01127	153.5
[M+NH4]+	274.05237	164.9
[M+K]+	294.98171	157.9
[M+H-H2O]+	239.01581	142.1
[M+HCOO]-	301.01675	158.6
[M+CH3COO]-	315.03240	162.2
[M+Na-2H]-	276.99322	154.0
[M]+	256.01800	153.2
[M]-	256.01910	153.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe