CID 9636948

4-bromo-2-(2-(4-hydroxybenzoyl)carbohydrazonoyl)phenyl 2-chlorobenzoate

Structural Information

Molecular Formula
C21H14BrClN2O4
SMILES
C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)O)Cl
InChI
InChI=1S/C21H14BrClN2O4/c22-15-7-10-19(29-21(28)17-3-1-2-4-18(17)23)14(11-15)12-24-25-20(27)13-5-8-16(26)9-6-13/h1-12,26H,(H,25,27)/b24-12+
InChIKey
NDYMOPDSYCAVPW-WYMPLXKRSA-N
Compound name
[4-bromo-2-[(E)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.98254 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.98982 198.0
[M+Na]+ 494.97176 207.3
[M-H]- 470.97526 209.6
[M+NH4]+ 490.01636 209.6
[M+K]+ 510.94570 194.0
[M+H-H2O]+ 454.97980 194.5
[M+HCOO]- 516.98074 215.3
[M+CH3COO]- 530.99639 230.2
[M+Na-2H]- 492.95721 200.9
[M]+ 471.98199 219.6
[M]- 471.98309 219.6
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.