CID 9554786

Nsc 90428

Structural Information

Molecular Formula
C14H28N6S2
SMILES
C/C(=N\NC(=S)N)/CCCCCCCC/C(=N/NC(=S)N)/C
InChI
InChI=1S/C14H28N6S2/c1-11(17-19-13(15)21)9-7-5-3-4-6-8-10-12(2)18-20-14(16)22/h3-10H2,1-2H3,(H3,15,19,21)(H3,16,20,22)/b17-11+,18-12+
InChIKey
CAINWNQDTFRQSH-JYFOCSDGSA-N
Compound name
[(E)-[(11E)-11-(carbamothioylhydrazinylidene)dodecan-2-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1817 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18898 180.5
[M+Na]+ 367.17092 179.6
[M-H]- 343.17442 179.6
[M+NH4]+ 362.21552 192.3
[M+K]+ 383.14486 174.6
[M+H-H2O]+ 327.17896 170.2
[M+HCOO]- 389.17990 193.1
[M+CH3COO]- 403.19555 230.1
[M+Na-2H]- 365.15637 176.3
[M]+ 344.18115 178.0
[M]- 344.18225 178.0
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.