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]+ 381.13798 190.0
[M+Na]+ 403.11992 194.6
[M-H]- 379.12342 199.4
[M+NH4]+ 398.16452 201.6
[M+K]+ 419.09386 190.1
[M+H-H2O]+ 363.12796 180.1
[M+HCOO]- 425.12890 209.8
[M+CH3COO]- 439.14455 224.9
[M+Na-2H]- 401.10537 189.3
[M]+ 380.13015 191.3
[M]- 380.13125 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.