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

8
Patents

226.03314 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.040416 146.8
[M+Na]+ 249.022358 155.6
[M-H]- 225.025864 152.4
[M+NH4]+ 244.066963 166.7
[M+K]+ 264.996298 150.4
[M+H-H2O]+ 209.030400 140.4
[M+HCOO]- 271.031341 161.9
[M+CH3COO]- 285.046991 159.7
[M+Na-2H]- 247.007806 149.4
[M]+ 226.03259142 148.2
[M]- 226.03368858 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