CID 103608992

3-methyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea

Structural Information

Molecular Formula
C8H13N3S2
SMILES
CC1=NC(=CS1)CCNC(=S)NC
InChI
InChI=1S/C8H13N3S2/c1-6-11-7(5-13-6)3-4-10-8(12)9-2/h5H,3-4H2,1-2H3,(H2,9,10,12)
InChIKey
BWBYNMBSQYGUKU-UHFFFAOYSA-N
Compound name
1-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05508 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06236 144.6
[M+Na]+ 238.04430 152.3
[M-H]- 214.04780 146.9
[M+NH4]+ 233.08890 164.1
[M+K]+ 254.01824 147.9
[M+H-H2O]+ 198.05234 137.9
[M+HCOO]- 260.05328 158.7
[M+CH3COO]- 274.06893 189.0
[M+Na-2H]- 236.02975 144.5
[M]+ 215.05453 145.8
[M]- 215.05563 145.8
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.