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: 15
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	150.9
[M+Na]+	279.00777	166.2
[M+NH4]+	274.05237	159.7
[M+K]+	294.98171	158.9
[M-H]-	255.01127	154.8
[M+Na-2H]-	276.99322	157.4
[M]+	256.01800	154.9
[M]-	256.01910	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe