CID 5272485

(s)-n-(4-(2-aminothiazol-4-yl)phenyl)-3-(methyl(1-phenylethyl)amino)propanamide

Structural Information

Molecular Formula
C21H24N4OS
SMILES
C[C@@H](C1=CC=CC=C1)N(C)CCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C21H24N4OS/c1-15(16-6-4-3-5-7-16)25(2)13-12-20(26)23-18-10-8-17(9-11-18)19-14-27-21(22)24-19/h3-11,14-15H,12-13H2,1-2H3,(H2,22,24)(H,23,26)/t15-/m0/s1
InChIKey
FEMXXLKDQOWAHU-HNNXBMFYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[methyl-[(1S)-1-phenylethyl]amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.16708 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17436 191.2
[M+Na]+ 403.15630 195.3
[M-H]- 379.15980 200.3
[M+NH4]+ 398.20090 203.0
[M+K]+ 419.13024 190.5
[M+H-H2O]+ 363.16434 181.3
[M+HCOO]- 425.16528 210.3
[M+CH3COO]- 439.18093 227.0
[M+Na-2H]- 401.14175 189.9
[M]+ 380.16653 192.3
[M]- 380.16763 192.3
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.