CID 45055128

(4-(2-(4-((4-methylbenzyl)oxy)benzoyl)carbohydrazonoyl)phenoxy)acetic acid

Structural Information

Molecular Formula
C24H22N2O5
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(C=C3)OCC(=O)O
InChI
InChI=1S/C24H22N2O5/c1-17-2-4-19(5-3-17)15-30-22-12-8-20(9-13-22)24(29)26-25-14-18-6-10-21(11-7-18)31-16-23(27)28/h2-14H,15-16H2,1H3,(H,26,29)(H,27,28)/b25-14+
InChIKey
ASEFUQWTMVXFEA-AFUMVMLFSA-N
Compound name
2-[4-[(E)-[[4-[(4-methylphenyl)methoxy]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.15286 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.16014 199.6
[M+Na]+ 441.14208 203.5
[M-H]- 417.14558 208.7
[M+NH4]+ 436.18668 208.0
[M+K]+ 457.11602 199.8
[M+H-H2O]+ 401.15012 188.5
[M+HCOO]- 463.15106 223.2
[M+CH3COO]- 477.16671 230.2
[M+Na-2H]- 439.12753 201.5
[M]+ 418.15231 202.6
[M]- 418.15341 202.6
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.