CID 9578598

P-isopropylbenzaldehyde m-bromophenylhydrazone

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]+ 317.06478 166.6
[M+Na]+ 339.04672 175.6
[M-H]- 315.05022 176.5
[M+NH4]+ 334.09132 184.7
[M+K]+ 355.02066 163.1
[M+H-H2O]+ 299.05476 163.9
[M+HCOO]- 361.05570 190.0
[M+CH3COO]- 375.07135 210.5
[M+Na-2H]- 337.03217 172.6
[M]+ 316.05695 184.6
[M]- 316.05805 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.