CID 11809364

Tert-butyl {2-[(1,3-thiazol-2-ylamino)carbonyl]pyridin-3-yl}carbamate

Structural Information

Molecular Formula
C14H16N4O3S
SMILES
CC(C)(C)OC(=O)NC1=C(N=CC=C1)C(=O)NC2=NC=CS2
InChI
InChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
InChIKey
QBMYJIFXSXKPFS-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(1,3-thiazol-2-ylcarbamoyl)pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

320.0943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.10158 174.0
[M+Na]+ 343.08352 180.2
[M-H]- 319.08702 178.7
[M+NH4]+ 338.12812 187.3
[M+K]+ 359.05746 177.4
[M+H-H2O]+ 303.09156 165.7
[M+HCOO]- 365.09250 191.0
[M+CH3COO]- 379.10815 206.0
[M+Na-2H]- 341.06897 176.3
[M]+ 320.09375 176.9
[M]- 320.09485 176.9
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

patents stripe