CID 9555333

Nsc298135

Structural Information

Molecular Formula
C14H17N5S4
SMILES
CN(C(=S)/N=C/1\SS/C(=N\C(=S)N(C)C)/N1C2=CC=CC=C2)C
InChI
InChI=1S/C14H17N5S4/c1-17(2)11(20)15-13-19(10-8-6-5-7-9-10)14(23-22-13)16-12(21)18(3)4/h5-9H,1-4H3/b15-13-,16-14-
InChIKey
CQJJTLLHTIZZFM-VMNXYWKNSA-N
Compound name
(3Z)-3-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.03668 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.04396 189.8
[M+Na]+ 406.02590 197.0
[M-H]- 382.02940 197.4
[M+NH4]+ 401.07050 203.3
[M+K]+ 421.99984 188.4
[M+H-H2O]+ 366.03394 180.9
[M+HCOO]- 428.03488 195.1
[M+CH3COO]- 442.05053 229.3
[M+Na-2H]- 404.01135 189.5
[M]+ 383.03613 190.0
[M]- 383.03723 190.0
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.