CID 5272266

Schembl7470428

Structural Information

Molecular Formula
C17H15FN4OS
SMILES
C1=CC(=CC=C1CNC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)F
InChI
InChI=1S/C17H15FN4OS/c18-13-5-1-11(2-6-13)9-20-17(23)21-14-7-3-12(4-8-14)15-10-24-16(19)22-15/h1-8,10H,9H2,(H2,19,22)(H2,20,21,23)
InChIKey
UUKFMPOLEBYZTN-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[(4-fluorophenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

342.09506 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.10234 174.9
[M+Na]+ 365.08428 182.3
[M-H]- 341.08778 182.3
[M+NH4]+ 360.12888 188.2
[M+K]+ 381.05822 175.7
[M+H-H2O]+ 325.09232 165.1
[M+HCOO]- 387.09326 195.0
[M+CH3COO]- 401.10891 185.3
[M+Na-2H]- 363.06973 176.1
[M]+ 342.09451 173.5
[M]- 342.09561 173.5
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

patents stripe