CID 3055295

2-thiazoline, 2-((o-chlorobenzyl)amino)-

Structural Information

Molecular Formula
C10H11ClN2S
SMILES
C1CSC(=N1)NCC2=CC=CC=C2Cl
InChI
InChI=1S/C10H11ClN2S/c11-9-4-2-1-3-8(9)7-13-10-12-5-6-14-10/h1-4H,5-7H2,(H,12,13)
InChIKey
QWMSIDSRCOIJHK-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

226.03314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04042 146.8
[M+Na]+ 249.02236 155.6
[M-H]- 225.02586 152.4
[M+NH4]+ 244.06696 166.7
[M+K]+ 264.99630 150.4
[M+H-H2O]+ 209.03040 140.4
[M+HCOO]- 271.03134 161.9
[M+CH3COO]- 285.04699 159.7
[M+Na-2H]- 247.00781 149.4
[M]+ 226.03259 148.2
[M]- 226.03369 148.2
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

patents stripe