CID 9630378

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

Structural Information

Molecular Formula
C15H12BrN3O3
SMILES
C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)N)Br
InChI
InChI=1S/C15H12BrN3O3/c16-13-4-2-1-3-12(13)14(20)22-11-7-5-10(6-8-11)9-18-19-15(17)21/h1-9H,(H3,17,19,21)/b18-9+
InChIKey
RXIBZZJKXJGCRR-GIJQJNRQSA-N
Compound name
[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl] 2-bromobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.0062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.01348 171.7
[M+Na]+ 383.99542 179.8
[M-H]- 359.99892 181.1
[M+NH4]+ 379.04002 186.8
[M+K]+ 399.96936 168.3
[M+H-H2O]+ 344.00346 167.7
[M+HCOO]- 406.00440 195.6
[M+CH3COO]- 420.02005 216.1
[M+Na-2H]- 381.98087 176.6
[M]+ 361.00565 189.4
[M]- 361.00675 189.4
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.