CID 293476

102433-54-5

Structural Information

Molecular Formula
C11H12ClN3O2S
SMILES
COC1=CC2=C(C=C1)N=C(S2)NC(=O)NCCCl
InChI
InChI=1S/C11H12ClN3O2S/c1-17-7-2-3-8-9(6-7)18-11(14-8)15-10(16)13-5-4-12/h2-3,6H,4-5H2,1H3,(H2,13,14,15,16)
InChIKey
IEWDTUTVDKFBJI-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(6-methoxy-1,3-benzothiazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.03387 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.04115 160.1
[M+Na]+ 308.02309 171.4
[M+NH4]+ 303.06769 168.1
[M+K]+ 323.99703 164.6
[M-H]- 284.02659 162.3
[M+Na-2H]- 306.00854 165.2
[M]+ 285.03332 162.9
[M]- 285.03442 162.9
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.