CID 5273553

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

Structural Information

Molecular Formula
C18H23N3S
SMILES
C1CCCCC(=NNC2=NC(=CS2)C3=CC=CC=C3)CCC1
InChI
InChI=1S/C18H23N3S/c1-2-4-9-13-16(12-8-3-1)20-21-18-19-17(14-22-18)15-10-6-5-7-11-15/h5-7,10-11,14H,1-4,8-9,12-13H2,(H,19,21)
InChIKey
QIODDOZBMVLCJV-UHFFFAOYSA-N
Compound name
N-(cyclononylideneamino)-4-phenyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

313.16125 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.16853 197.6
[M+Na]+ 336.15047 197.1
[M-H]- 312.15397 196.6
[M+NH4]+ 331.19507 196.8
[M+K]+ 352.12441 196.0
[M+H-H2O]+ 296.15851 188.1
[M+HCOO]- 358.15945 197.4
[M+CH3COO]- 372.17510 198.0
[M+Na-2H]- 334.13592 198.8
[M]+ 313.16070 196.9
[M]- 313.16180 196.9
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.