CID 5272300

N-[4-(2-aminothiazol-4-yl)phenyl]-2-(2-pyridylmethylamino)acetamide

Structural Information

Molecular Formula
C17H17N5OS
SMILES
C1=CC=NC(=C1)CNCC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C17H17N5OS/c18-17-22-15(11-24-17)12-4-6-13(7-5-12)21-16(23)10-19-9-14-3-1-2-8-20-14/h1-8,11,19H,9-10H2,(H2,18,22)(H,21,23)
InChIKey
UCXAJGBYFCTNGY-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-2-(pyridin-2-ylmethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1154 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12268 174.7
[M+Na]+ 362.10462 181.1
[M-H]- 338.10812 181.8
[M+NH4]+ 357.14922 186.4
[M+K]+ 378.07856 174.7
[M+H-H2O]+ 322.11266 164.9
[M+HCOO]- 384.11360 194.6
[M+CH3COO]- 398.12925 184.6
[M+Na-2H]- 360.09007 177.4
[M]+ 339.11485 174.4
[M]- 339.11595 174.4
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

No patent data available for this compound.