CID 5272291

N-[4-(2-aminothiazol-4-yl)phenyl]-2-(3-phenylpropylamino)acetamide

Structural Information

Molecular Formula
C20H22N4OS
SMILES
C1=CC=C(C=C1)CCCNCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C20H22N4OS/c21-20-24-18(14-26-20)16-8-10-17(11-9-16)23-19(25)13-22-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,14,22H,4,7,12-13H2,(H2,21,24)(H,23,25)
InChIKey
YLZJDRJYJBRAMJ-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(3-phenylpropylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.15143 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.15871 184.1
[M+Na]+ 389.14065 189.0
[M-H]- 365.14415 191.9
[M+NH4]+ 384.18525 195.9
[M+K]+ 405.11459 182.3
[M+H-H2O]+ 349.14869 174.4
[M+HCOO]- 411.14963 204.2
[M+CH3COO]- 425.16528 193.3
[M+Na-2H]- 387.12610 185.2
[M]+ 366.15088 184.2
[M]- 366.15198 184.2
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.