CID 5272532

(r)-n-(4-(2-aminothiazol-4-yl)phenyl)-2-(methylamino)-3-phenylpropanamide

Structural Information

Molecular Formula
C19H20N4OS
SMILES
CN[C@H](CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C19H20N4OS/c1-21-16(11-13-5-3-2-4-6-13)18(24)22-15-9-7-14(8-10-15)17-12-25-19(20)23-17/h2-10,12,16,21H,11H2,1H3,(H2,20,23)(H,22,24)/t16-/m1/s1
InChIKey
FXBXDQADLLGLIZ-MRXNPFEDSA-N
Compound name
(2R)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(methylamino)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13577 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14305 181.0
[M+Na]+ 375.12499 186.1
[M-H]- 351.12849 189.2
[M+NH4]+ 370.16959 193.4
[M+K]+ 391.09893 180.2
[M+H-H2O]+ 335.13303 171.7
[M+HCOO]- 397.13397 200.4
[M+CH3COO]- 411.14962 190.6
[M+Na-2H]- 373.11044 181.5
[M]+ 352.13522 180.3
[M]- 352.13632 180.3
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.