CID 3436340

2-((1,1'-biphenyl)-4-yloxy)-n'-(4-methylcyclohexylidene)acetohydrazide

Structural Information

Molecular Formula
C21H24N2O2
SMILES
CC1CCC(=NNC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3)CC1
InChI
InChI=1S/C21H24N2O2/c1-16-7-11-19(12-8-16)22-23-21(24)15-25-20-13-9-18(10-14-20)17-5-3-2-4-6-17/h2-6,9-10,13-14,16H,7-8,11-12,15H2,1H3,(H,23,24)
InChIKey
GOOXSBWCZPPJPX-UHFFFAOYSA-N
Compound name
N-[(4-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 180.8
[M+Na]+ 359.17300 183.3
[M-H]- 335.17650 190.3
[M+NH4]+ 354.21760 193.4
[M+K]+ 375.14694 179.1
[M+H-H2O]+ 319.18104 170.5
[M+HCOO]- 381.18198 203.1
[M+CH3COO]- 395.19763 216.7
[M+Na-2H]- 357.15845 183.3
[M]+ 336.18323 177.1
[M]- 336.18433 177.1
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

No patent data available for this compound.