CID 9639766

4-(2-(2-bromobenzoyl)carbohydrazonoyl)phenyl 2-bromobenzoate

Structural Information

Molecular Formula
C21H14Br2N2O3
SMILES
C1=CC=C(C(=C1)C(=O)N/N=C/C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Br)Br
InChI
InChI=1S/C21H14Br2N2O3/c22-18-7-3-1-5-16(18)20(26)25-24-13-14-9-11-15(12-10-14)28-21(27)17-6-2-4-8-19(17)23/h1-13H,(H,25,26)/b24-13+
InChIKey
HNVGAPVOFQZZAQ-ZMOGYAJESA-N
Compound name
[4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.93713 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.94441 188.9
[M+Na]+ 522.92635 195.3
[M-H]- 498.92985 200.0
[M+NH4]+ 517.97095 200.2
[M+K]+ 538.90029 180.2
[M+H-H2O]+ 482.93439 192.9
[M+HCOO]- 544.93533 205.5
[M+CH3COO]- 558.95098 235.2
[M+Na-2H]- 520.91180 192.3
[M]+ 499.93658 222.8
[M]- 499.93768 222.8
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.