CID 5272295

N-(4-(2-aminothiazol-4-yl)phenyl)-2-((4-methoxybenzyl)amino)acetamide

Structural Information

Molecular Formula
C19H20N4O2S
SMILES
COC1=CC=C(C=C1)CNCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C19H20N4O2S/c1-25-16-8-2-13(3-9-16)10-21-11-18(24)22-15-6-4-14(5-7-15)17-12-26-19(20)23-17/h2-9,12,21H,10-11H2,1H3,(H2,20,23)(H,22,24)
InChIKey
IRMTUJMMRRMHNF-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-[(4-methoxyphenyl)methylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1307 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13798 184.0
[M+Na]+ 391.11992 190.0
[M-H]- 367.12342 192.4
[M+NH4]+ 386.16452 196.0
[M+K]+ 407.09386 184.1
[M+H-H2O]+ 351.12796 174.5
[M+HCOO]- 413.12890 204.6
[M+CH3COO]- 427.14455 220.5
[M+Na-2H]- 389.10537 185.0
[M]+ 368.13015 185.5
[M]- 368.13125 185.5
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.