CID 155821528

2445750-58-1

Structural Information

Molecular Formula
C13H23N3O2S
SMILES
CC(C)(C)[C@H](C1=CSC(=N1)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H23N3O2S/c1-12(2,3)9(8-7-19-10(14)15-8)16-11(17)18-13(4,5)6/h7,9H,1-6H3,(H2,14,15)(H,16,17)/t9-/m0/s1
InChIKey
GOBSYBVZZWZMML-VIFPVBQESA-N
Compound name
tert-butyl N-[(1R)-1-(2-amino-1,3-thiazol-4-yl)-2,2-dimethylpropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1511 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15838 170.1
[M+Na]+ 308.14032 175.5
[M-H]- 284.14382 172.1
[M+NH4]+ 303.18492 186.4
[M+K]+ 324.11426 173.8
[M+H-H2O]+ 268.14836 163.8
[M+HCOO]- 330.14930 184.3
[M+CH3COO]- 344.16495 203.1
[M+Na-2H]- 306.12577 169.9
[M]+ 285.15055 172.2
[M]- 285.15165 172.2
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.