CID 9621824

1-(2-(aminocarbonyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C21H19N3O5
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)N)OC
InChI
InChI=1S/C21H19N3O5/c1-27-18-10-8-14(11-19(18)28-2)20(25)29-17-9-7-13-5-3-4-6-15(13)16(17)12-23-24-21(22)26/h3-12H,1-2H3,(H3,22,24,26)/b23-12+
InChIKey
AFDAZMRFOZWCOE-FSJBWODESA-N
Compound name
[1-[(E)-(carbamoylhydrazinylidene)methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.13248 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.13976 190.8
[M+Na]+ 416.12170 196.5
[M-H]- 392.12520 199.2
[M+NH4]+ 411.16630 202.1
[M+K]+ 432.09564 194.2
[M+H-H2O]+ 376.12974 180.6
[M+HCOO]- 438.13068 215.7
[M+CH3COO]- 452.14633 230.9
[M+Na-2H]- 414.10715 194.3
[M]+ 393.13193 194.7
[M]- 393.13303 194.7
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.