CID 139033892

Gce

Structural Information

Molecular Formula
C20H24F2N4O2S
SMILES
CN(C(=O)N1[C@](SC(N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC
InChI
InChI=1S/C20H24F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13,18,24H,6,11-12,23H2,1-2H3/t18?,20-/m0/s1
InChIKey
IIHCLEJHQCMCGC-IJHRGXPZSA-N
Compound name
(2S)-2-(3-aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.1588 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.16608 195.6
[M+Na]+ 445.14802 201.5
[M-H]- 421.15152 199.6
[M+NH4]+ 440.19262 206.4
[M+K]+ 461.12196 195.9
[M+H-H2O]+ 405.15606 184.9
[M+HCOO]- 467.15700 207.6
[M+CH3COO]- 481.17265 227.8
[M+Na-2H]- 443.13347 192.2
[M]+ 422.15825 194.2
[M]- 422.15935 194.2
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.