CID 5270991

Schembl7675105

Structural Information

Molecular Formula
C19H17FN2S
SMILES
C=CCNCC1=CC=C(C=C1)C2=CSC(=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H17FN2S/c1-2-11-21-12-14-3-5-15(6-4-14)18-13-23-19(22-18)16-7-9-17(20)10-8-16/h2-10,13,21H,1,11-12H2
InChIKey
YJEHIHKDIZKRAR-UHFFFAOYSA-N
Compound name
N-[[4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]phenyl]methyl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

324.10965 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11693 174.0
[M+Na]+ 347.09887 182.8
[M-H]- 323.10237 181.6
[M+NH4]+ 342.14347 189.1
[M+K]+ 363.07281 175.0
[M+H-H2O]+ 307.10691 164.5
[M+HCOO]- 369.10785 192.9
[M+CH3COO]- 383.12350 185.2
[M+Na-2H]- 345.08432 174.1
[M]+ 324.10910 174.8
[M]- 324.11020 174.8
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

patents stripe