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]+ 381.13798 189.1
[M+Na]+ 403.11992 193.3
[M-H]- 379.12342 197.1
[M+NH4]+ 398.16452 200.0
[M+K]+ 419.09386 188.0
[M+H-H2O]+ 363.12796 179.6
[M+HCOO]- 425.12890 207.4
[M+CH3COO]- 439.14455 222.7
[M+Na-2H]- 401.10537 188.2
[M]+ 380.13015 188.7
[M]- 380.13125 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.