CID 3003362

1-[2-(5-bromo-2-thienyl)ethyl]-3-(5-methylthiazol-2-yl)thiourea

Structural Information

Molecular Formula
C11H12BrN3S3
SMILES
CC1=CN=C(S1)NC(=S)NCCC2=CC=C(S2)Br
InChI
InChI=1S/C11H12BrN3S3/c1-7-6-14-11(17-7)15-10(16)13-5-4-8-2-3-9(12)18-8/h2-3,6H,4-5H2,1H3,(H2,13,14,15,16)
InChIKey
ZJQMFHQFTZLKEO-UHFFFAOYSA-N
Compound name
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.93768 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.94496 150.1
[M+Na]+ 383.92690 164.8
[M-H]- 359.93040 158.7
[M+NH4]+ 378.97150 170.0
[M+K]+ 399.90084 149.4
[M+H-H2O]+ 343.93494 150.2
[M+HCOO]- 405.93588 160.5
[M+CH3COO]- 419.95153 164.3
[M+Na-2H]- 381.91235 152.3
[M]+ 360.93713 170.6
[M]- 360.93823 170.6
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.