CID 509460

Schembl7487599

Structural Information

Molecular Formula
C18H17N5O5S
SMILES
C1CC(=O)N(C1)CCCNC2=NN=C(S2)NC(=O)C3=CC4=C(C=C3)C(=O)OC4=O
InChI
InChI=1S/C18H17N5O5S/c24-13-3-1-7-23(13)8-2-6-19-17-21-22-18(29-17)20-14(25)10-4-5-11-12(9-10)16(27)28-15(11)26/h4-5,9H,1-3,6-8H2,(H,19,21)(H,20,22,25)
InChIKey
IUHZBFUILAMLFJ-UHFFFAOYSA-N
Compound name
1,3-dioxo-N-[5-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3,4-thiadiazol-2-yl]-2-benzofuran-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

415.09503 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.10231 193.3
[M+Na]+ 438.08425 200.5
[M-H]- 414.08775 202.4
[M+NH4]+ 433.12885 204.6
[M+K]+ 454.05819 198.0
[M+H-H2O]+ 398.09229 186.8
[M+HCOO]- 460.09323 209.1
[M+CH3COO]- 474.10888 224.7
[M+Na-2H]- 436.06970 189.7
[M]+ 415.09448 197.7
[M]- 415.09558 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

patents stripe