CID 5272539

(2s)-n-[4-(2-aminothiazol-4-yl)phenyl]-2-(morpholinosulfonylamino)-3-phenyl-propanamide

Structural Information

Molecular Formula
C22H25N5O4S2
SMILES
C1COCCN1S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=CSC(=N4)N
InChI
InChI=1S/C22H25N5O4S2/c23-22-25-20(15-32-22)17-6-8-18(9-7-17)24-21(28)19(14-16-4-2-1-3-5-16)26-33(29,30)27-10-12-31-13-11-27/h1-9,15,19,26H,10-14H2,(H2,23,25)(H,24,28)/t19-/m0/s1
InChIKey
NVTIYMKCVZJLCD-IBGZPJMESA-N
Compound name
(2S)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(morpholin-4-ylsulfonylamino)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.1348 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.14208 206.3
[M+Na]+ 510.12402 208.8
[M-H]- 486.12752 214.9
[M+NH4]+ 505.16862 209.9
[M+K]+ 526.09796 203.6
[M+H-H2O]+ 470.13206 197.2
[M+HCOO]- 532.13300 214.3
[M+CH3COO]- 546.14865 212.1
[M+Na-2H]- 508.10947 208.0
[M]+ 487.13425 204.2
[M]- 487.13535 204.2
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.