CID 3003055

1-butyl-3-[(2,4-dimethylthiazole-5-carbonyl)amino]thiourea

Structural Information

Molecular Formula
C11H18N4OS2
SMILES
CCCCNC(=S)NNC(=O)C1=C(N=C(S1)C)C
InChI
InChI=1S/C11H18N4OS2/c1-4-5-6-12-11(17)15-14-10(16)9-7(2)13-8(3)18-9/h4-6H2,1-3H3,(H,14,16)(H2,12,15,17)
InChIKey
QSRFEHBSQZQIOQ-UHFFFAOYSA-N
Compound name
1-butyl-3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.0922 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09948 164.4
[M+Na]+ 309.08142 170.3
[M-H]- 285.08492 166.3
[M+NH4]+ 304.12602 180.6
[M+K]+ 325.05536 165.3
[M+H-H2O]+ 269.08946 156.8
[M+HCOO]- 331.09040 177.6
[M+CH3COO]- 345.10605 204.7
[M+Na-2H]- 307.06687 162.4
[M]+ 286.09165 166.0
[M]- 286.09275 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.