CID 9682220

4-(2-((4-(benzyloxy)phenoxy)acetyl)carbohydrazonoyl)phenyl 2-iodobenzoate

Structural Information

Molecular Formula
C29H23IN2O5
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC(=O)N/N=C/C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4I
InChI
InChI=1S/C29H23IN2O5/c30-27-9-5-4-8-26(27)29(34)37-25-12-10-21(11-13-25)18-31-32-28(33)20-36-24-16-14-23(15-17-24)35-19-22-6-2-1-3-7-22/h1-18H,19-20H2,(H,32,33)/b31-18+
InChIKey
KZCSPMODENUVTE-FDAWAROLSA-N
Compound name
[4-[(E)-[[2-(4-phenylmethoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.0652 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.07248 238.4
[M+Na]+ 629.05442 233.8
[M-H]- 605.05792 242.5
[M+NH4]+ 624.09902 238.5
[M+K]+ 645.02836 235.2
[M+H-H2O]+ 589.06246 220.8
[M+HCOO]- 651.06340 256.1
[M+CH3COO]- 665.07905 249.5
[M+Na-2H]- 627.03987 227.6
[M]+ 606.06465 237.9
[M]- 606.06575 237.9
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.