CID 5272549

Tert-butyl [[4-[4-[[butyl(methyl)carbamoyl]amino]phenyl]thiazol-2-yl]amino] carbonate

Structural Information

Molecular Formula
C20H28N4O4S
SMILES
CCCCN(C)C(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NOC(=O)OC(C)(C)C
InChI
InChI=1S/C20H28N4O4S/c1-6-7-12-24(5)18(25)21-15-10-8-14(9-11-15)16-13-29-17(22-16)23-28-19(26)27-20(2,3)4/h8-11,13H,6-7,12H2,1-5H3,(H,21,25)(H,22,23)
InChIKey
ZPYSLGHCCJNUFF-UHFFFAOYSA-N
Compound name
tert-butyl [[4-[4-[[butyl(methyl)carbamoyl]amino]phenyl]-1,3-thiazol-2-yl]amino] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.18314 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.19042 202.7
[M+Na]+ 443.17236 205.7
[M-H]- 419.17586 209.1
[M+NH4]+ 438.21696 213.5
[M+K]+ 459.14630 204.1
[M+H-H2O]+ 403.18040 193.5
[M+HCOO]- 465.18134 220.4
[M+CH3COO]- 479.19699 232.1
[M+Na-2H]- 441.15781 202.0
[M]+ 420.18259 209.3
[M]- 420.18369 209.3
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.