CID 113048

63134-15-6

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 194.6
[M+Na]+ 429.15017 202.2
[M+NH4]+ 424.19477 200.6
[M+K]+ 445.12411 194.1
[M-H]- 405.15367 199.3
[M+Na-2H]- 427.13562 199.9
[M]+ 406.16040 197.5
[M]- 406.16150 197.5
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.