CID 9639348

4-(2-(1-naphthylacetyl)carbohydrazonoyl)phenyl 3-methylbenzoate

Structural Information

Molecular Formula
C27H22N2O3
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H22N2O3/c1-19-6-4-10-23(16-19)27(31)32-24-14-12-20(13-15-24)18-28-29-26(30)17-22-9-5-8-21-7-2-3-11-25(21)22/h2-16,18H,17H2,1H3,(H,29,30)/b28-18+
InChIKey
RXYFOEGMQHQSIY-MTDXEUNCSA-N
Compound name
[4-[(E)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.16306 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.17034 203.4
[M+Na]+ 445.15228 208.0
[M-H]- 421.15578 214.3
[M+NH4]+ 440.19688 213.2
[M+K]+ 461.12622 202.5
[M+H-H2O]+ 405.16032 191.7
[M+HCOO]- 467.16126 226.5
[M+CH3COO]- 481.17691 234.0
[M+Na-2H]- 443.13773 206.9
[M]+ 422.16251 204.8
[M]- 422.16361 204.8
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.