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]+ 286.041146 159.3
[M+Na]+ 308.023088 169.2
[M-H]- 284.026594 163.4
[M+NH4]+ 303.067693 178.0
[M+K]+ 323.997028 164.3
[M+H-H2O]+ 268.031130 153.4
[M+HCOO]- 330.032071 175.9
[M+CH3COO]- 344.047721 199.4
[M+Na-2H]- 306.008536 163.4
[M]+ 285.03332142 166.5
[M]- 285.03441858 166.5
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.