CID 5272263

Schembl7473200

Structural Information

Molecular Formula
C18H19N5OS
SMILES
CN(CCC1=CC=CC=N1)C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N
InChI
InChI=1S/C18H19N5OS/c1-23(11-9-14-4-2-3-10-20-14)18(24)21-15-7-5-13(6-8-15)16-12-25-17(19)22-16/h2-8,10,12H,9,11H2,1H3,(H2,19,22)(H,21,24)
InChIKey
RRUPANWFQFWRDQ-UHFFFAOYSA-N
Compound name
3-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-1-methyl-1-(2-pyridin-2-ylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

353.13104 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13832 181.1
[M+Na]+ 376.12026 187.1
[M-H]- 352.12376 189.5
[M+NH4]+ 371.16486 192.9
[M+K]+ 392.09420 182.0
[M+H-H2O]+ 336.12830 170.9
[M+HCOO]- 398.12924 201.1
[M+CH3COO]- 412.14489 191.0
[M+Na-2H]- 374.10571 182.5
[M]+ 353.13049 182.2
[M]- 353.13159 182.2
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.