CID 381052

Nsc667071

Structural Information

Molecular Formula
C18H28N2O4S
SMILES
C[C@@H]1[C@H]([C@H]2CCCN2O1)C(=O)N3C4CC5CCC4(C5(C)C)CS3(=O)=O
InChI
InChI=1S/C18H28N2O4S/c1-11-15(13-5-4-8-19(13)24-11)16(21)20-14-9-12-6-7-18(14,17(12,2)3)10-25(20,22)23/h11-15H,4-10H2,1-3H3/t11-,12?,13-,14?,15-,18?/m1/s1
InChIKey
FDPRDAHOVZKQDN-WWKNAXRHSA-N
Compound name
[(2R,3S,3aR)-2-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-3-yl]-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.17697 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18425 184.6
[M+Na]+ 391.16619 193.9
[M-H]- 367.16969 192.3
[M+NH4]+ 386.21079 211.4
[M+K]+ 407.14013 192.7
[M+H-H2O]+ 351.17423 185.4
[M+HCOO]- 413.17517 193.7
[M+CH3COO]- 427.19082 195.7
[M+Na-2H]- 389.15164 179.0
[M]+ 368.17642 189.4
[M]- 368.17752 189.4
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.