CID 77059035

(r)-3-(4-(5-chlorothiophen-2-yl)-1h-imidazol-2-yl)morpholine

Structural Information

Molecular Formula
C11H12ClN3OS
SMILES
C1COC[C@H](N1)C2=NC=C(N2)C3=CC=C(S3)Cl
InChI
InChI=1S/C11H12ClN3OS/c12-10-2-1-9(17-10)7-5-14-11(15-7)8-6-16-4-3-13-8/h1-2,5,8,13H,3-4,6H2,(H,14,15)/t8-/m0/s1
InChIKey
BPWAXWDRVQSCAM-QMMMGPOBSA-N
Compound name
(3R)-3-[5-(5-chlorothiophen-2-yl)-1H-imidazol-2-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.03897 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04625 156.4
[M+Na]+ 292.02819 166.2
[M-H]- 268.03169 161.1
[M+NH4]+ 287.07279 171.3
[M+K]+ 308.00213 160.9
[M+H-H2O]+ 252.03623 149.4
[M+HCOO]- 314.03717 165.1
[M+CH3COO]- 328.05282 167.6
[M+Na-2H]- 290.01364 155.1
[M]+ 269.03842 155.8
[M]- 269.03952 155.8
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.