CID 5272269

1-[4-(2-aminothiazol-4-yl)phenyl]-3-(3-imidazol-1-ylpropyl)urea

Structural Information

Molecular Formula
C16H18N6OS
SMILES
C1=CC(=CC=C1C2=CSC(=N2)N)NC(=O)NCCCN3C=CN=C3
InChI
InChI=1S/C16H18N6OS/c17-15-21-14(10-24-15)12-2-4-13(5-3-12)20-16(23)19-6-1-8-22-9-7-18-11-22/h2-5,7,9-11H,1,6,8H2,(H2,17,21)(H2,19,20,23)
InChIKey
NXOSHONJBRPDMM-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(3-imidazol-1-ylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.12628 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.13356 174.5
[M+Na]+ 365.11550 182.4
[M-H]- 341.11900 181.7
[M+NH4]+ 360.16010 187.1
[M+K]+ 381.08944 176.8
[M+H-H2O]+ 325.12354 164.9
[M+HCOO]- 387.12448 195.9
[M+CH3COO]- 401.14013 185.1
[M+Na-2H]- 363.10095 176.0
[M]+ 342.12573 176.8
[M]- 342.12683 176.8
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.