CID 9633918

4-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl 3-methylbenzoate

Structural Information

Molecular Formula
C27H21N3O4
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H21N3O4/c1-18-6-4-9-21(16-18)27(33)34-22-14-12-19(13-15-22)17-28-30-26(32)25(31)29-24-11-5-8-20-7-2-3-10-23(20)24/h2-17H,1H3,(H,29,31)(H,30,32)/b28-17+
InChIKey
FJNNPAJYPVNHEU-OGLMXYFKSA-N
Compound name
[4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.1532 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.16048 207.9
[M+Na]+ 474.14242 211.4
[M-H]- 450.14592 218.8
[M+NH4]+ 469.18702 215.9
[M+K]+ 490.11636 207.1
[M+H-H2O]+ 434.15046 196.0
[M+HCOO]- 496.15140 231.3
[M+CH3COO]- 510.16705 240.5
[M+Na-2H]- 472.12787 211.3
[M]+ 451.15265 208.7
[M]- 451.15375 208.7
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.