CID 509792

Schembl7480251

Structural Information

Molecular Formula
C14H22ClN5O2S
SMILES
C1CC(=O)N(C1)CCCNC2=NN=C(S2)NC(=O)CCCCCl
InChI
InChI=1S/C14H22ClN5O2S/c15-7-2-1-5-11(21)17-14-19-18-13(23-14)16-8-4-10-20-9-3-6-12(20)22/h1-10H2,(H,16,18)(H,17,19,21)
InChIKey
ATAUAUUVUDZPRF-UHFFFAOYSA-N
Compound name
5-chloro-N-[5-[3-(2-oxopyrrolidin-1-yl)propylamino]-1,3,4-thiadiazol-2-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

359.1183 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.12558 183.1
[M+Na]+ 382.10752 188.5
[M-H]- 358.11102 185.7
[M+NH4]+ 377.15212 196.1
[M+K]+ 398.08146 183.7
[M+H-H2O]+ 342.11556 174.3
[M+HCOO]- 404.11650 194.4
[M+CH3COO]- 418.13215 212.9
[M+Na-2H]- 380.09297 179.7
[M]+ 359.11775 186.7
[M]- 359.11885 186.7
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.