CID 113048

Einecs 263-913-5

Structural Information

Molecular Formula
C18H26N6OS2
SMILES
CCCN(CCC)C1=CC(=C(C=C1)N=NC2=NN=C(S2)SCC)NC(=O)C
InChI
InChI=1S/C18H26N6OS2/c1-5-10-24(11-6-2)14-8-9-15(16(12-14)19-13(4)25)20-21-17-22-23-18(27-17)26-7-3/h8-9,12H,5-7,10-11H2,1-4H3,(H,19,25)
InChIKey
RYUOZOUELVJZGD-UHFFFAOYSA-N
Compound name
N-[5-(dipropylamino)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)diazenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

406.16095 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.16823 195.1
[M+Na]+ 429.15017 200.8
[M-H]- 405.15367 202.6
[M+NH4]+ 424.19477 206.9
[M+K]+ 445.12411 195.9
[M+H-H2O]+ 389.15821 184.7
[M+HCOO]- 451.15915 212.1
[M+CH3COO]- 465.17480 237.9
[M+Na-2H]- 427.13562 194.4
[M]+ 406.16040 202.7
[M]- 406.16150 202.7
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.