CID 485047

Tert-butyl 2-[4-(hydrazinecarbonyl)thiazol-2-yl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C13H20N4O3S
SMILES
CC(C)(C)OC(=O)N1CCCC1C2=NC(=CS2)C(=O)NN
InChI
InChI=1S/C13H20N4O3S/c1-13(2,3)20-12(19)17-6-4-5-9(17)11-15-8(7-21-11)10(18)16-14/h7,9H,4-6,14H2,1-3H3,(H,16,18)
InChIKey
XISVOCXBNQDITB-UHFFFAOYSA-N
Compound name
tert-butyl 2-[4-(hydrazinecarbonyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

312.1256 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13288 174.2
[M+Na]+ 335.11482 179.5
[M-H]- 311.11832 178.4
[M+NH4]+ 330.15942 189.6
[M+K]+ 351.08876 177.9
[M+H-H2O]+ 295.12286 167.2
[M+HCOO]- 357.12380 188.8
[M+CH3COO]- 371.13945 204.6
[M+Na-2H]- 333.10027 171.3
[M]+ 312.12505 174.4
[M]- 312.12615 174.4
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.