CID 5273551

Chembl248050

Structural Information

Molecular Formula
C16H19N3S
SMILES
C1CCCC(=NNC2=NC(=CS2)C3=CC=CC=C3)CC1
InChI
InChI=1S/C16H19N3S/c1-2-7-11-14(10-6-1)18-19-16-17-15(12-20-16)13-8-4-3-5-9-13/h3-5,8-9,12H,1-2,6-7,10-11H2,(H,17,19)
InChIKey
HFWROKPXAPGNOY-UHFFFAOYSA-N
Compound name
N-(cycloheptylideneamino)-4-phenyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

285.12997 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.13725 169.2
[M+Na]+ 308.11919 172.1
[M-H]- 284.12269 178.8
[M+NH4]+ 303.16379 184.2
[M+K]+ 324.09313 171.7
[M+H-H2O]+ 268.12723 160.2
[M+HCOO]- 330.12817 187.4
[M+CH3COO]- 344.14382 179.0
[M+Na-2H]- 306.10464 169.9
[M]+ 285.12942 162.8
[M]- 285.13052 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.