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

17
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 188.2
[M+Na]+ 403.15630 192.6
[M-H]- 379.15980 195.7
[M+NH4]+ 398.20090 199.5
[M+K]+ 419.13024 185.7
[M+H-H2O]+ 363.16434 178.3
[M+HCOO]- 425.16528 207.9
[M+CH3COO]- 439.18093 223.0
[M+Na-2H]- 401.14175 188.8
[M]+ 380.16653 188.6
[M]- 380.16763 188.6
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