CID 4092507

Dtxsid801131313

Structural Information

Molecular Formula
C25H23BrN2O6
SMILES
CCOC1=CC=CC=C1C(=O)NN=CC2=C(C=CC(=C2)Br)OC(=O)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C25H23BrN2O6/c1-4-33-21-8-6-5-7-19(21)24(29)28-27-15-17-13-18(26)10-12-20(17)34-25(30)16-9-11-22(31-2)23(14-16)32-3/h5-15H,4H2,1-3H3,(H,28,29)
InChIKey
PBICIIHJEUDEAH-UHFFFAOYSA-N
Compound name
[4-bromo-2-[[(2-ethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

526.074 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.08128 214.4
[M+Na]+ 549.06322 221.3
[M-H]- 525.06672 226.7
[M+NH4]+ 544.10782 223.4
[M+K]+ 565.03716 211.4
[M+H-H2O]+ 509.07126 208.4
[M+HCOO]- 571.07220 236.0
[M+CH3COO]- 585.08785 245.2
[M+Na-2H]- 547.04867 215.4
[M]+ 526.07345 239.1
[M]- 526.07455 239.1
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.