CID 339866

Nsc368137

Structural Information

Molecular Formula
C17H27N3O4S
SMILES
CC1=C(C(=C2N1CSC2)COC(=O)NC(C)C)COC(=O)NC(C)C
InChI
InChI=1S/C17H27N3O4S/c1-10(2)18-16(21)23-6-13-12(5)20-9-25-8-15(20)14(13)7-24-17(22)19-11(3)4/h10-11H,6-9H2,1-5H3,(H,18,21)(H,19,22)
InChIKey
KIDAKRLMYQYVON-UHFFFAOYSA-N
Compound name
[5-methyl-7-(propan-2-ylcarbamoyloxymethyl)-1,3-dihydropyrrolo[1,2-c][1,3]thiazol-6-yl]methyl N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

369.17224 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.17952 191.1
[M+Na]+ 392.16146 195.1
[M-H]- 368.16496 194.1
[M+NH4]+ 387.20606 206.9
[M+K]+ 408.13540 194.0
[M+H-H2O]+ 352.16950 184.9
[M+HCOO]- 414.17044 205.4
[M+CH3COO]- 428.18609 220.4
[M+Na-2H]- 390.14691 185.6
[M]+ 369.17169 197.0
[M]- 369.17279 197.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.