CID 88853674

1581284-82-3

Structural Information

Molecular Formula
C21H24N4OS
SMILES
C1=CC=C(C=C1)CCNCCC2=CC=C(C=C2)NC(=O)CC3=CSC(=N3)N
InChI
InChI=1S/C21H24N4OS/c22-21-25-19(15-27-21)14-20(26)24-18-8-6-17(7-9-18)11-13-23-12-10-16-4-2-1-3-5-16/h1-9,15,23H,10-14H2,(H2,22,25)(H,24,26)
InChIKey
SRMFYHUWWFFNPI-UHFFFAOYSA-N
Compound name
2-(2-amino-1,3-thiazol-4-yl)-N-[4-[2-(2-phenylethylamino)ethyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

380.16708 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.17436 190.8
[M+Na]+ 403.15630 201.2
[M+NH4]+ 398.20090 197.9
[M+K]+ 419.13024 193.1
[M-H]- 379.15980 197.5
[M+Na-2H]- 401.14175 199.3
[M]+ 380.16653 194.4
[M]- 380.16763 194.4
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

patents stripe