CID 5272330

2-[acetyl(benzyl)amino]-n-[4-(2-aminothiazol-4-yl)phenyl]acetamide

Structural Information

Molecular Formula
C20H20N4O2S
SMILES
CC(=O)N(CC1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C20H20N4O2S/c1-14(25)24(11-15-5-3-2-4-6-15)12-19(26)22-17-9-7-16(8-10-17)18-13-27-20(21)23-18/h2-10,13H,11-12H2,1H3,(H2,21,23)(H,22,26)
InChIKey
WIHJCPDRDUBGSV-UHFFFAOYSA-N
Compound name
2-[acetyl(benzyl)amino]-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1307 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.137976 190.0
[M+Na]+ 403.119918 194.6
[M-H]- 379.123424 199.4
[M+NH4]+ 398.164523 201.6
[M+K]+ 419.093858 190.1
[M+H-H2O]+ 363.127960 180.1
[M+HCOO]- 425.128901 209.8
[M+CH3COO]- 439.144551 224.9
[M+Na-2H]- 401.105366 189.3
[M]+ 380.13015142 191.3
[M]- 380.13124858 191.3
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.