CID 45054432

2-methoxy-4-(2-(3-pyridinylcarbonyl)carbohydrazonoyl)phenyl 3-phenylacrylate

Structural Information

Molecular Formula
C23H19N3O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CN=CC=C2)OC(=O)/C=C/C3=CC=CC=C3
InChI
InChI=1S/C23H19N3O4/c1-29-21-14-18(15-25-26-23(28)19-8-5-13-24-16-19)9-11-20(21)30-22(27)12-10-17-6-3-2-4-7-17/h2-16H,1H3,(H,26,28)/b12-10+,25-15+
InChIKey
OAKRNAMKVUUPHJ-OXRDNBQMSA-N
Compound name
[2-methoxy-4-[(E)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.13754 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.14482 196.0
[M+Na]+ 424.12676 200.4
[M-H]- 400.13026 205.0
[M+NH4]+ 419.17136 204.3
[M+K]+ 440.10070 195.9
[M+H-H2O]+ 384.13480 183.9
[M+HCOO]- 446.13574 220.1
[M+CH3COO]- 460.15139 226.6
[M+Na-2H]- 422.11221 199.6
[M]+ 401.13699 198.1
[M]- 401.13809 198.1
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.