CID 9687655

4-(2-((1-naphthylamino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C27H21N3O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C(=O)NC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C27H21N3O5/c1-34-21-15-11-20(12-16-21)27(33)35-22-13-9-18(10-14-22)17-28-30-26(32)25(31)29-24-8-4-6-19-5-2-3-7-23(19)24/h2-17H,1H3,(H,29,31)(H,30,32)/b28-17+
InChIKey
ZLKJKLYQRSBPLN-OGLMXYFKSA-N
Compound name
[4-[(E)-[[2-(naphthalen-1-ylamino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.14813 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.155406 210.1
[M+Na]+ 490.137348 213.3
[M-H]- 466.140854 221.0
[M+NH4]+ 485.181953 217.4
[M+K]+ 506.111288 210.0
[M+H-H2O]+ 450.145390 198.0
[M+HCOO]- 512.146331 233.7
[M+CH3COO]- 526.161981 242.7
[M+Na-2H]- 488.122796 213.8
[M]+ 467.14758142 212.2
[M]- 467.14867858 212.2
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.