CID 9635077

1-(2-(3-pyridinylcarbonyl)carbohydrazonoyl)-2-naphthyl 3-methylbenzoate

Structural Information

Molecular Formula
C25H19N3O3
SMILES
CC1=CC(=CC=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CN=CC=C4
InChI
InChI=1S/C25H19N3O3/c1-17-6-4-8-19(14-17)25(30)31-23-12-11-18-7-2-3-10-21(18)22(23)16-27-28-24(29)20-9-5-13-26-15-20/h2-16H,1H3,(H,28,29)/b27-16+
InChIKey
VOVWLDXKJKRSDT-JVWAILMASA-N
Compound name
[1-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]naphthalen-2-yl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.14264 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.14992 198.5
[M+Na]+ 432.13186 204.0
[M-H]- 408.13536 208.4
[M+NH4]+ 427.17646 207.5
[M+K]+ 448.10580 198.5
[M+H-H2O]+ 392.13990 186.3
[M+HCOO]- 454.14084 221.0
[M+CH3COO]- 468.15649 207.4
[M+Na-2H]- 430.11731 203.4
[M]+ 409.14209 199.7
[M]- 409.14319 199.7
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.