CID 6399995

Nsc693330

Structural Information

Molecular Formula
C15H22N6S2
SMILES
C/C(=N\NC(=S)N(C)C)/C(=N/NC(=S)N(C)C)/C1=CC=CC=C1
InChI
InChI=1S/C15H22N6S2/c1-11(16-18-14(22)20(2)3)13(12-9-7-6-8-10-12)17-19-15(23)21(4)5/h6-10H,1-5H3,(H,18,22)(H,19,23)/b16-11+,17-13-
InChIKey
DTNIZTHKKUBNNT-ADPXBSPTSA-N
Compound name
3-[(E)-[(1E)-1-(dimethylcarbamothioylhydrazinylidene)-1-phenylpropan-2-ylidene]amino]-1,1-dimethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

350.13474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14202 185.1
[M+Na]+ 373.12396 185.8
[M-H]- 349.12746 191.8
[M+NH4]+ 368.16856 198.5
[M+K]+ 389.09790 183.5
[M+H-H2O]+ 333.13200 174.4
[M+HCOO]- 395.13294 201.3
[M+CH3COO]- 409.14859 234.6
[M+Na-2H]- 371.10941 184.1
[M]+ 350.13419 185.5
[M]- 350.13529 185.5
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.