CID 341457

Nsc373600

Structural Information

Molecular Formula
C17H27N3O6S
SMILES
CC1=C(C(=C2N1CS(=O)(=O)C2)COC(=O)NC(C)C)COC(=O)NC(C)C
InChI
InChI=1S/C17H27N3O6S/c1-10(2)18-16(21)25-6-13-12(5)20-9-27(23,24)8-15(20)14(13)7-26-17(22)19-11(3)4/h10-11H,6-9H2,1-5H3,(H,18,21)(H,19,22)
InChIKey
KTWLMHVCJJUDFV-UHFFFAOYSA-N
Compound name
[5-methyl-2,2-dioxo-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

2
References

0
Patents

401.16205 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16933 191.3
[M+Na]+ 424.15127 196.8
[M-H]- 400.15477 194.6
[M+NH4]+ 419.19587 207.7
[M+K]+ 440.12521 196.1
[M+H-H2O]+ 384.15931 186.9
[M+HCOO]- 446.16025 206.2
[M+CH3COO]- 460.17590 224.3
[M+Na-2H]- 422.13672 188.1
[M]+ 401.16150 199.5
[M]- 401.16260 199.5
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.