CID 51061083

4-(2-(3,4-dimethoxybenzoyl)carbohydrazonoyl)phenyl 3-bromobenzoate

Structural Information

Molecular Formula
C23H19BrN2O5
SMILES
COC1=C(C=C(C=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC(=CC=C3)Br)OC
InChI
InChI=1S/C23H19BrN2O5/c1-29-20-11-8-16(13-21(20)30-2)22(27)26-25-14-15-6-9-19(10-7-15)31-23(28)17-4-3-5-18(24)12-17/h3-14H,1-2H3,(H,26,27)/b25-14+
InChIKey
SAARXCRDNFFLQX-AFUMVMLFSA-N
Compound name
[4-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.04773 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.05501 203.7
[M+Na]+ 505.03695 211.1
[M-H]- 481.04045 216.2
[M+NH4]+ 500.08155 214.3
[M+K]+ 521.01089 200.6
[M+H-H2O]+ 465.04499 198.3
[M+HCOO]- 527.04593 225.9
[M+CH3COO]- 541.06158 236.5
[M+Na-2H]- 503.02240 206.2
[M]+ 482.04718 226.2
[M]- 482.04828 226.2
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.