CID 5272264

Urea, n-[4-(2-amino-4-thiazolyl)phenyl]-n'-4-pyridinyl-

Structural Information

Molecular Formula
C16H15N5OS
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)NC(=O)NCC3=CC=NC=C3
InChI
InChI=1S/C16H15N5OS/c17-15-21-14(10-23-15)12-1-3-13(4-2-12)20-16(22)19-9-11-5-7-18-8-6-11/h1-8,10H,9H2,(H2,17,21)(H2,19,20,22)
InChIKey
FCFRUGAKZMZKEZ-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(pyridin-4-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.09973 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10701 171.0
[M+Na]+ 348.08895 178.0
[M-H]- 324.09245 178.4
[M+NH4]+ 343.13355 183.4
[M+K]+ 364.06289 171.8
[M+H-H2O]+ 308.09699 161.4
[M+HCOO]- 370.09793 191.3
[M+CH3COO]- 384.11358 181.4
[M+Na-2H]- 346.07440 174.1
[M]+ 325.09918 170.3
[M]- 325.10028 170.3
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.