CID 5273552

Cyclooctanone, (4-phenyl-2-thiazolyl)hydrazone

Structural Information

Molecular Formula
C17H21N3S
SMILES
C1CCCC(=NNC2=NC(=CS2)C3=CC=CC=C3)CCC1
InChI
InChI=1S/C17H21N3S/c1-2-7-11-15(12-8-3-1)19-20-17-18-16(13-21-17)14-9-5-4-6-10-14/h4-6,9-10,13H,1-3,7-8,11-12H2,(H,18,20)
InChIKey
ZUJBGKNKOBATEZ-UHFFFAOYSA-N
Compound name
N-(cyclooctylideneamino)-4-phenyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

299.14563 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15291 159.7
[M+Na]+ 322.13485 163.5
[M-H]- 298.13835 163.9
[M+NH4]+ 317.17945 167.0
[M+K]+ 338.10879 162.3
[M+H-H2O]+ 282.14289 154.8
[M+HCOO]- 344.14383 168.1
[M+CH3COO]- 358.15948 164.0
[M+Na-2H]- 320.12030 158.6
[M]+ 299.14508 158.0
[M]- 299.14618 158.0
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.