CID 148185

Mivotilate

Structural Information

Molecular Formula
C12H14N2O3S3
SMILES
CC1=CSC(=N1)NC(=O)C(=C2SCS2)C(=O)OC(C)C
InChI
InChI=1S/C12H14N2O3S3/c1-6(2)17-10(16)8(11-19-5-20-11)9(15)14-12-13-7(3)4-18-12/h4,6H,5H2,1-3H3,(H,13,14,15)
InChIKey
WOUUWUGULFOVHG-UHFFFAOYSA-N
Compound name
propan-2-yl 2-(1,3-dithietan-2-ylidene)-3-[(4-methyl-1,3-thiazol-2-yl)amino]-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

784
Patents

330.01666 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.02394 169.8
[M+Na]+ 353.00588 170.4
[M-H]- 329.00938 172.2
[M+NH4]+ 348.05048 176.4
[M+K]+ 368.97982 169.2
[M+H-H2O]+ 313.01392 155.5
[M+HCOO]- 375.01486 171.3
[M+CH3COO]- 389.03051 208.0
[M+Na-2H]- 350.99133 163.9
[M]+ 330.01611 178.1
[M]- 330.01721 178.1
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

patents stripe