CID 3046122

Dimethylaminoethyl 2-(s-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl)thiopropionylglycinate

Structural Information

Molecular Formula
C18H24N4O4S
SMILES
CC(C(=O)NCC(=O)OCCN(C)C)SCC1=NC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C18H24N4O4S/c1-13(18(24)19-11-16(23)25-10-9-22(2)3)27-12-15-20-17(21-26-15)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,19,24)
InChIKey
NVTNFAHBQHBZNN-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

392.15182 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15910 192.1
[M+Na]+ 415.14104 199.4
[M+NH4]+ 410.18564 196.1
[M+K]+ 431.11498 196.0
[M-H]- 391.14454 194.5
[M+Na-2H]- 413.12649 195.4
[M]+ 392.15127 193.7
[M]- 392.15237 193.7
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