CID 215131

N-(5-chloro-2-thiazolyl)-4-morpholineethanamine dihydrochloride

Structural Information

Molecular Formula
C9H14ClN3OS
SMILES
C1COCCN1CCNC2=NC=C(S2)Cl
InChI
InChI=1S/C9H14ClN3OS/c10-8-7-12-9(15-8)11-1-2-13-3-5-14-6-4-13/h7H,1-6H2,(H,11,12)
InChIKey
LOPUZKVLHSGCDP-UHFFFAOYSA-N
Compound name
5-chloro-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05461 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06189 152.1
[M+Na]+ 270.04383 159.0
[M-H]- 246.04733 156.2
[M+NH4]+ 265.08843 168.2
[M+K]+ 286.01777 156.0
[M+H-H2O]+ 230.05187 144.8
[M+HCOO]- 292.05281 162.7
[M+CH3COO]- 306.06846 163.3
[M+Na-2H]- 268.02928 153.8
[M]+ 247.05406 152.6
[M]- 247.05516 152.6
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.