CID 162345505

1-chloro-3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea

Structural Information

Molecular Formula
C6H7Cl2N3OS
SMILES
CN(C(=O)NCC1=CN=C(S1)Cl)Cl
InChI
InChI=1S/C6H7Cl2N3OS/c1-11(8)6(12)10-3-4-2-9-5(7)13-4/h2H,3H2,1H3,(H,10,12)
InChIKey
SPEHXTXNLPIMOM-UHFFFAOYSA-N
Compound name
1-chloro-3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.96869 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.975966 148.2
[M+Na]+ 261.957908 157.2
[M-H]- 237.961414 152.1
[M+NH4]+ 257.002513 168.2
[M+K]+ 277.931848 153.6
[M+H-H2O]+ 221.965950 143.0
[M+HCOO]- 283.966891 159.8
[M+CH3COO]- 297.982541 192.1
[M+Na-2H]- 259.943356 149.2
[M]+ 238.96814142 153.0
[M]- 238.96923858 153.0
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.