CID 9639493

4-bromo-2-(2-(4-bromobenzoyl)carbohydrazonoyl)phenyl 2-methylbenzoate

Structural Information

Molecular Formula
C22H16Br2N2O3
SMILES
CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Br)/C=N/NC(=O)C3=CC=C(C=C3)Br
InChI
InChI=1S/C22H16Br2N2O3/c1-14-4-2-3-5-19(14)22(28)29-20-11-10-18(24)12-16(20)13-25-26-21(27)15-6-8-17(23)9-7-15/h2-13H,1H3,(H,26,27)/b25-13+
InChIKey
ZSUXVUAJAWTFLB-DHRITJCHSA-N
Compound name
[4-bromo-2-[(E)-[(4-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.95276 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.96004 192.7
[M+Na]+ 536.94198 199.5
[M-H]- 512.94548 204.0
[M+NH4]+ 531.98658 203.8
[M+K]+ 552.91592 184.2
[M+H-H2O]+ 496.95002 196.5
[M+HCOO]- 558.95096 209.0
[M+CH3COO]- 572.96661 238.3
[M+Na-2H]- 534.92743 195.1
[M]+ 513.95221 227.1
[M]- 513.95331 227.1
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.