CID 485052

[1-(4-hydrazinocarbonyl-thiazol-2-yl)-3-methyl-butyl]-carbamic acid, tert!-butyl ester

Structural Information

Molecular Formula
C14H24N4O3S
SMILES
CC(C)CC(C1=NC(=CS1)C(=O)NN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H24N4O3S/c1-8(2)6-9(17-13(20)21-14(3,4)5)12-16-10(7-22-12)11(19)18-15/h7-9H,6,15H2,1-5H3,(H,17,20)(H,18,19)
InChIKey
IVJYMIJGPSONTE-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-[4-(hydrazinecarbonyl)-1,3-thiazol-2-yl]-3-methylbutyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.15692 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16420 179.9
[M+Na]+ 351.14614 182.9
[M-H]- 327.14964 181.5
[M+NH4]+ 346.19074 193.6
[M+K]+ 367.12008 181.7
[M+H-H2O]+ 311.15418 172.3
[M+HCOO]- 373.15512 194.6
[M+CH3COO]- 387.17077 214.0
[M+Na-2H]- 349.13159 177.1
[M]+ 328.15637 181.6
[M]- 328.15747 181.6
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.