CID 9635078

N'-(4-(benzyloxy)3-meo-benzylidene)2-(2-isopropyl-5-methylphenoxy)acetohydrazide

Structural Information

Molecular Formula
C27H30N2O4
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC
InChI
InChI=1S/C27H30N2O4/c1-19(2)23-12-10-20(3)14-25(23)33-18-27(30)29-28-16-22-11-13-24(26(15-22)31-4)32-17-21-8-6-5-7-9-21/h5-16,19H,17-18H2,1-4H3,(H,29,30)/b28-16+
InChIKey
QAAYULRLJNORLS-LQKURTRISA-N
Compound name
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.22055 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.22783 212.2
[M+Na]+ 469.20977 216.0
[M-H]- 445.21327 222.5
[M+NH4]+ 464.25437 220.7
[M+K]+ 485.18371 212.4
[M+H-H2O]+ 429.21781 200.4
[M+HCOO]- 491.21875 235.8
[M+CH3COO]- 505.23440 240.8
[M+Na-2H]- 467.19522 211.9
[M]+ 446.22000 217.7
[M]- 446.22110 217.7
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.