CID 5272280

1-[4-(2-aminothiazol-4-yl)phenyl]-3-[(4-chlorophenyl)methyl]urea

Structural Information

Molecular Formula
C17H15ClN4OS
SMILES
C1=CC(=CC=C1CNC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)Cl
InChI
InChI=1S/C17H15ClN4OS/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
URLKHZZCPRMKBC-UHFFFAOYSA-N
Compound name
1-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-[(4-chlorophenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.06552 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.07280 180.8
[M+Na]+ 381.05474 188.8
[M-H]- 357.05824 189.5
[M+NH4]+ 376.09934 194.4
[M+K]+ 397.02868 181.2
[M+H-H2O]+ 341.06278 172.6
[M+HCOO]- 403.06372 197.3
[M+CH3COO]- 417.07937 191.2
[M+Na-2H]- 379.04019 181.9
[M]+ 358.06497 182.6
[M]- 358.06607 182.6
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.