CID 5272392

Carbamic acid, [2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl][(1s)-1-cyclohexylethyl]-, 1,1-dimethylethyl ester

Structural Information

Molecular Formula
C24H34N4O3S
SMILES
C[C@@H](C1CCCCC1)N(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)OC(C)(C)C
InChI
InChI=1S/C24H34N4O3S/c1-16(17-8-6-5-7-9-17)28(23(30)31-24(2,3)4)14-21(29)26-19-12-10-18(11-13-19)20-15-32-22(25)27-20/h10-13,15-17H,5-9,14H2,1-4H3,(H2,25,27)(H,26,29)/t16-/m0/s1
InChIKey
JJEWPWQLVWFALW-INIZCTEOSA-N
Compound name
tert-butyl N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(1S)-1-cyclohexylethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.23517 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.24245 211.0
[M+Na]+ 481.22439 210.6
[M-H]- 457.22789 218.7
[M+NH4]+ 476.26899 219.3
[M+K]+ 497.19833 208.2
[M+H-H2O]+ 441.23243 201.7
[M+HCOO]- 503.23337 222.9
[M+CH3COO]- 517.24902 239.9
[M+Na-2H]- 479.20984 206.7
[M]+ 458.23462 209.8
[M]- 458.23572 209.8
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.