CID 6399992

Nsc693327

Structural Information

Molecular Formula
C14H20N6S2
SMILES
CN(C)C(=S)N/N=C/C(=N/NC(=S)N(C)C)/C1=CC=CC=C1
InChI
InChI=1S/C14H20N6S2/c1-19(2)13(21)17-15-10-12(11-8-6-5-7-9-11)16-18-14(22)20(3)4/h5-10H,1-4H3,(H,17,21)(H,18,22)/b15-10+,16-12-
InChIKey
LKFNJXLIFHTTQD-HDVIWIBHSA-N
Compound name
3-[(E)-[(2E)-2-(dimethylcarbamothioylhydrazinylidene)-1-phenylethylidene]amino]-1,1-dimethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.11908 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12636 180.2
[M+Na]+ 359.10830 181.7
[M-H]- 335.11180 187.1
[M+NH4]+ 354.15290 194.2
[M+K]+ 375.08224 178.9
[M+H-H2O]+ 319.11634 169.5
[M+HCOO]- 381.11728 197.8
[M+CH3COO]- 395.13293 230.9
[M+Na-2H]- 357.09375 180.5
[M]+ 336.11853 180.7
[M]- 336.11963 180.7
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.