CID 45055030

2-methoxy-4-(2-(2-methylbenzoyl)carbohydrazonoyl)phenyl 4-propoxybenzoate

Structural Information

Molecular Formula
C26H26N2O5
SMILES
CCCOC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3C)OC
InChI
InChI=1S/C26H26N2O5/c1-4-15-32-21-12-10-20(11-13-21)26(30)33-23-14-9-19(16-24(23)31-3)17-27-28-25(29)22-8-6-5-7-18(22)2/h5-14,16-17H,4,15H2,1-3H3,(H,28,29)/b27-17+
InChIKey
BWTUIDZFGSFYQX-WPWMEQJKSA-N
Compound name
[2-methoxy-4-[(E)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.18417 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.19145 209.5
[M+Na]+ 469.17339 213.9
[M-H]- 445.17689 220.0
[M+NH4]+ 464.21799 217.8
[M+K]+ 485.14733 210.7
[M+H-H2O]+ 429.18143 197.8
[M+HCOO]- 491.18237 233.8
[M+CH3COO]- 505.19802 238.8
[M+Na-2H]- 467.15884 209.9
[M]+ 446.18362 215.2
[M]- 446.18472 215.2
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.