CID 9671951

4-(2-((5-isopropyl-2-methylphenoxy)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C26H26N2O4
SMILES
CC1=C(C=C(C=C1)C(C)C)OCC(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3
InChI
InChI=1S/C26H26N2O4/c1-18(2)22-12-9-19(3)24(15-22)31-17-25(29)28-27-16-20-10-13-23(14-11-20)32-26(30)21-7-5-4-6-8-21/h4-16,18H,17H2,1-3H3,(H,28,29)/b27-16+
InChIKey
ZROQIDXURKWMOC-JVWAILMASA-N
Compound name
[4-[(E)-[[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.18927 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.19655 206.7
[M+Na]+ 453.17849 210.1
[M-H]- 429.18199 216.9
[M+NH4]+ 448.22309 215.4
[M+K]+ 469.15243 206.6
[M+H-H2O]+ 413.18653 195.3
[M+HCOO]- 475.18747 229.9
[M+CH3COO]- 489.20312 236.3
[M+Na-2H]- 451.16394 206.5
[M]+ 430.18872 210.1
[M]- 430.18982 210.1
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.