CID 485043

Tert-butyl n-[2-methyl-1-[4-(methylcarbamoyl)thiazol-2-yl]propyl]carbamate

Structural Information

Molecular Formula
C14H23N3O3S
SMILES
CC(C)C(C1=NC(=CS1)C(=O)NC)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H23N3O3S/c1-8(2)10(17-13(19)20-14(3,4)5)12-16-9(7-21-12)11(18)15-6/h7-8,10H,1-6H3,(H,15,18)(H,17,19)
InChIKey
PYKAMBDHARSSGN-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-methyl-1-[4-(methylcarbamoyl)-1,3-thiazol-2-yl]propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.14603 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.15331 176.6
[M+Na]+ 336.13525 180.7
[M-H]- 312.13875 178.8
[M+NH4]+ 331.17985 191.7
[M+K]+ 352.10919 179.7
[M+H-H2O]+ 296.14329 169.6
[M+HCOO]- 358.14423 191.1
[M+CH3COO]- 372.15988 209.3
[M+Na-2H]- 334.12070 174.1
[M]+ 313.14548 180.2
[M]- 313.14658 180.2
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.