CID 11820966

Cycloheptanone, 2-methyl-, (4-phenyl-2-thiazolyl)hydrazone, (1e)-

Structural Information

Molecular Formula
C17H21N3S
SMILES
CC\1CCCCC/C1=N\NC2=NC(=CS2)C3=CC=CC=C3
InChI
InChI=1S/C17H21N3S/c1-13-8-4-2-7-11-15(13)19-20-17-18-16(12-21-17)14-9-5-3-6-10-14/h3,5-6,9-10,12-13H,2,4,7-8,11H2,1H3,(H,18,20)/b19-15+
InChIKey
DDJHNYPUEUQVGU-XDJHFCHBSA-N
Compound name
N-[(E)-(2-methylcycloheptylidene)amino]-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 173.7
[M+Na]+ 322.13485 177.0
[M-H]- 298.13835 183.5
[M+NH4]+ 317.17945 188.4
[M+K]+ 338.10879 176.4
[M+H-H2O]+ 282.14289 164.6
[M+HCOO]- 344.14383 191.5
[M+CH3COO]- 358.15948 183.4
[M+Na-2H]- 320.12030 173.2
[M]+ 299.14508 168.0
[M]- 299.14618 168.0
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.