CID 341455

Nsc373598

Structural Information

Molecular Formula
C17H27N3O5S
SMILES
CC1=C(C(=C2N1CS(=O)C2)COC(=O)NC(C)C)COC(=O)NC(C)C
InChI
InChI=1S/C17H27N3O5S/c1-10(2)18-16(21)24-6-13-12(5)20-9-26(23)8-15(20)14(13)7-25-17(22)19-11(3)4/h10-11H,6-9H2,1-5H3,(H,18,21)(H,19,22)
InChIKey
VMVMSHQVJONYFB-UHFFFAOYSA-N
Compound name
[5-methyl-2-oxo-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

385.16714 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17442 192.7
[M+Na]+ 408.15636 197.5
[M-H]- 384.15986 196.1
[M+NH4]+ 403.20096 207.9
[M+K]+ 424.13030 196.4
[M+H-H2O]+ 368.16440 186.9
[M+HCOO]- 430.16534 207.4
[M+CH3COO]- 444.18099 223.2
[M+Na-2H]- 406.14181 187.0
[M]+ 385.16659 199.7
[M]- 385.16769 199.7
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

No patent data available for this compound.