CID 3734661

624726-28-9

Structural Information

Molecular Formula
C17H17N5O4S2
SMILES
CCOC(=O)CN1C2=CC=CC=C2C(=C1O)N=NC(=O)CSC3=NN=C(S3)C
InChI
InChI=1S/C17H17N5O4S2/c1-3-26-14(24)8-22-12-7-5-4-6-11(12)15(16(22)25)20-19-13(23)9-27-17-21-18-10(2)28-17/h4-7,25H,3,8-9H2,1-2H3
InChIKey
FATBPGNOJPVQGS-UHFFFAOYSA-N
Compound name
ethyl 2-[2-hydroxy-3-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]diazenyl]indol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.0722 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.07948 195.5
[M+Na]+ 442.06142 204.5
[M+NH4]+ 437.10602 200.2
[M+K]+ 458.03536 199.6
[M-H]- 418.06492 197.0
[M+Na-2H]- 440.04687 198.8
[M]+ 419.07165 197.7
[M]- 419.07275 197.7
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.