CID 3017797

Sorsddpfxxjchx-uhfffaoysa-n

Structural Information

Molecular Formula
C18H20N4O2S2
SMILES
CCN1C(=C2N(C(=O)C(=C3C=CC=CN3C)S2)CC=C)C(=O)N(C1=S)C
InChI
InChI=1S/C18H20N4O2S2/c1-5-10-22-16(24)14(12-9-7-8-11-19(12)3)26-17(22)13-15(23)20(4)18(25)21(13)6-2/h5,7-9,11H,1,6,10H2,2-4H3
InChIKey
SORSDDPFXXJCHX-UHFFFAOYSA-N
Compound name
2-(3-ethyl-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-ylidene)-5-(1-methyl-2-pyridinylidene)-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.10278 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.110056 192.6
[M+Na]+ 411.091998 205.3
[M-H]- 387.095504 198.8
[M+NH4]+ 406.136603 204.8
[M+K]+ 427.065938 196.3
[M+H-H2O]+ 371.100040 186.3
[M+HCOO]- 433.100981 200.7
[M+CH3COO]- 447.116631 217.4
[M+Na-2H]- 409.077446 182.2
[M]+ 388.10223142 195.5
[M]- 388.10332858 195.5
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.