CID 9633815

2-(2-isopropyl-5-me-phenoxy)-n'-(4-((4-me-benzyl)oxy)benzylidene)acetohydrazide

Structural Information

Molecular Formula
C27H30N2O3
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)COC3=C(C=CC(=C3)C)C(C)C
InChI
InChI=1S/C27H30N2O3/c1-19(2)25-14-7-21(4)15-26(25)32-18-27(30)29-28-16-22-10-12-24(13-11-22)31-17-23-8-5-20(3)6-9-23/h5-16,19H,17-18H2,1-4H3,(H,29,30)/b28-16+
InChIKey
DABBWUIUQHXXFO-LQKURTRISA-N
Compound name
N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.22565 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.23293 209.4
[M+Na]+ 453.21487 213.4
[M-H]- 429.21837 219.7
[M+NH4]+ 448.25947 218.6
[M+K]+ 469.18881 209.0
[M+H-H2O]+ 413.22291 197.9
[M+HCOO]- 475.22385 232.9
[M+CH3COO]- 489.23950 238.7
[M+Na-2H]- 451.20032 208.9
[M]+ 430.22510 213.5
[M]- 430.22620 213.5
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.