CID 5272274

Tert-butyl n-[4-[4-(dibutylcarbamoylamino)phenyl]thiazol-2-yl]carbamate

Structural Information

Molecular Formula
C23H34N4O3S
SMILES
CCCCN(CCCC)C(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C23H34N4O3S/c1-6-8-14-27(15-9-7-2)21(28)24-18-12-10-17(11-13-18)19-16-31-20(25-19)26-22(29)30-23(3,4)5/h10-13,16H,6-9,14-15H2,1-5H3,(H,24,28)(H,25,26,29)
InChIKey
OHYXXOYLKWXXMB-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-[4-(dibutylcarbamoylamino)phenyl]-1,3-thiazol-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.23517 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.24245 212.8
[M+Na]+ 469.22439 214.9
[M-H]- 445.22789 218.7
[M+NH4]+ 464.26899 222.7
[M+K]+ 485.19833 211.9
[M+H-H2O]+ 429.23243 203.2
[M+HCOO]- 491.23337 229.4
[M+CH3COO]- 505.24902 238.7
[M+Na-2H]- 467.20984 210.4
[M]+ 446.23462 219.1
[M]- 446.23572 219.1
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.