CID 9578598

Benzaldehyde, p-isopropyl-, (m-bromophenyl)hydrazone

Structural Information

Molecular Formula
C16H17BrN2
SMILES
CC(C)C1=CC=C(C=C1)/C=N/NC2=CC(=CC=C2)Br
InChI
InChI=1S/C16H17BrN2/c1-12(2)14-8-6-13(7-9-14)11-18-19-16-5-3-4-15(17)10-16/h3-12,19H,1-2H3/b18-11+
InChIKey
FDRYZUOPIBSMCZ-WOJGMQOQSA-N
Compound name
3-bromo-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0575 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.064776 166.6
[M+Na]+ 339.046718 175.6
[M-H]- 315.050224 176.5
[M+NH4]+ 334.091323 184.7
[M+K]+ 355.020658 163.1
[M+H-H2O]+ 299.054760 163.9
[M+HCOO]- 361.055701 190.0
[M+CH3COO]- 375.071351 210.5
[M+Na-2H]- 337.032166 172.6
[M]+ 316.05695142 184.6
[M]- 316.05804858 184.6
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.