CID 9664705

4-(2-(2-bromobenzoyl)carbohydrazonoyl)phenyl 3-methylbenzoate

Structural Information

Molecular Formula
C22H17BrN2O3
SMILES
CC1=CC(=CC=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3Br
InChI
InChI=1S/C22H17BrN2O3/c1-15-5-4-6-17(13-15)22(27)28-18-11-9-16(10-12-18)14-24-25-21(26)19-7-2-3-8-20(19)23/h2-14H,1H3,(H,25,26)/b24-14+
InChIKey
WTXYFFVMEQFQNX-ZVHZXABRSA-N
Compound name
[4-[(E)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.04224 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.04952 194.9
[M+Na]+ 459.03146 202.7
[M-H]- 435.03496 207.4
[M+NH4]+ 454.07606 207.4
[M+K]+ 475.00540 190.7
[M+H-H2O]+ 419.03950 190.4
[M+HCOO]- 481.04044 217.3
[M+CH3COO]- 495.05609 228.5
[M+Na-2H]- 457.01691 198.4
[M]+ 436.04169 214.3
[M]- 436.04279 214.3
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.