CID 5272262

1-[4-(2-aminothiazol-4-yl)phenyl]-3-[2-(2-pyridyl)ethyl]urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1154 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.12268 175.1
[M+Na]+ 362.10462 181.6
[M-H]- 338.10812 182.3
[M+NH4]+ 357.14922 186.9
[M+K]+ 378.07856 175.2
[M+H-H2O]+ 322.11266 165.3
[M+HCOO]- 384.11360 195.0
[M+CH3COO]- 398.12925 185.0
[M+Na-2H]- 360.09007 177.8
[M]+ 339.11485 174.7
[M]- 339.11595 174.7
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.