CID 9635171

2-ethoxy-4-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl benzoate

Structural Information

Molecular Formula
C28H23N3O5
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C(=O)NC2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H23N3O5/c1-2-35-25-17-19(15-16-24(25)36-28(34)21-10-4-3-5-11-21)18-29-31-27(33)26(32)30-23-14-8-12-20-9-6-7-13-22(20)23/h3-18H,2H2,1H3,(H,30,32)(H,31,33)/b29-18+
InChIKey
KYUNYIYGNIBHRN-RDRPBHBLSA-N
Compound name
[2-ethoxy-4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.16376 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.17104 214.5
[M+Na]+ 504.15298 217.1
[M-H]- 480.15648 225.1
[M+NH4]+ 499.19758 221.1
[M+K]+ 520.12692 213.6
[M+H-H2O]+ 464.16102 202.1
[M+HCOO]- 526.16196 237.7
[M+CH3COO]- 540.17761 245.6
[M+Na-2H]- 502.13843 217.6
[M]+ 481.16321 216.8
[M]- 481.16431 216.8
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.