CID 9638165

2-ethoxy-4-(2-(1-naphthoyl)carbohydrazonoyl)phenyl 4-ethoxybenzoate

Structural Information

Molecular Formula
C29H26N2O5
SMILES
CCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC4=CC=CC=C43)OCC
InChI
InChI=1S/C29H26N2O5/c1-3-34-23-15-13-22(14-16-23)29(33)36-26-17-12-20(18-27(26)35-4-2)19-30-31-28(32)25-11-7-9-21-8-5-6-10-24(21)25/h5-19H,3-4H2,1-2H3,(H,31,32)/b30-19+
InChIKey
YXVAUTCWKUTFRA-NDZAJKAJSA-N
Compound name
[2-ethoxy-4-[(E)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.18417 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.19145 218.2
[M+Na]+ 505.17339 222.1
[M-H]- 481.17689 228.9
[M+NH4]+ 500.21799 225.4
[M+K]+ 521.14733 218.1
[M+H-H2O]+ 465.18143 205.6
[M+HCOO]- 527.18237 240.7
[M+CH3COO]- 541.19802 245.4
[M+Na-2H]- 503.15884 220.2
[M]+ 482.18362 223.2
[M]- 482.18472 223.2
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.