CID 5272535

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

Structural Information

Molecular Formula
C20H20N4O2S
SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C20H20N4O2S/c1-13(25)22-17(11-14-5-3-2-4-6-14)19(26)23-16-9-7-15(8-10-16)18-12-27-20(21)24-18/h2-10,12,17H,11H2,1H3,(H2,21,24)(H,22,25)(H,23,26)/t17-/m0/s1
InChIKey
RDDJZGGNIXMDIW-KRWDZBQOSA-N
Compound name
(2S)-2-acetamido-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1307 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.137976 189.1
[M+Na]+ 403.119918 193.3
[M-H]- 379.123424 197.1
[M+NH4]+ 398.164523 200.0
[M+K]+ 419.093858 188.0
[M+H-H2O]+ 363.127960 179.6
[M+HCOO]- 425.128901 207.4
[M+CH3COO]- 439.144551 222.7
[M+Na-2H]- 401.105366 188.2
[M]+ 380.13015142 188.7
[M]- 380.13124858 188.7
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.