CID 9570162

Brn 0556360

Structural Information

Molecular Formula
C11H17BrN4OS2
SMILES
CC1=NSC(=C1Br)/C(=N/NC(=S)NCCCOC)/C
InChI
InChI=1S/C11H17BrN4OS2/c1-7-9(12)10(19-16-7)8(2)14-15-11(18)13-5-4-6-17-3/h4-6H2,1-3H3,(H2,13,15,18)/b14-8+
InChIKey
NDVKDHMRZPIXBJ-RIYZIHGNSA-N
Compound name
1-[(E)-1-(4-bromo-3-methyl-1,2-thiazol-5-yl)ethylideneamino]-3-(3-methoxypropyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.00272 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.01000 158.7
[M+Na]+ 386.99194 168.9
[M-H]- 362.99544 164.6
[M+NH4]+ 382.03654 176.4
[M+K]+ 402.96588 154.9
[M+H-H2O]+ 346.99998 155.9
[M+HCOO]- 409.00092 171.8
[M+CH3COO]- 423.01657 215.7
[M+Na-2H]- 384.97739 160.1
[M]+ 364.00217 180.2
[M]- 364.00327 180.2
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

No patent data available for this compound.