CID 6512672

4'-formylacetanilide 4'-((p-bromophenyl)hydrazone)

Structural Information

Molecular Formula
C15H14BrN3O
SMILES
CC(=O)NC1=CC=C(C=C1)/C=N\NC2=CC=C(C=C2)Br
InChI
InChI=1S/C15H14BrN3O/c1-11(20)18-14-6-2-12(3-7-14)10-17-19-15-8-4-13(16)5-9-15/h2-10,19H,1H3,(H,18,20)/b17-10-
InChIKey
QEFHPPPUFYSYMB-YVLHZVERSA-N
Compound name
N-[4-[(Z)-[(4-bromophenyl)hydrazinylidene]methyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.032 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.03928 166.6
[M+Na]+ 354.02122 175.1
[M-H]- 330.02472 176.4
[M+NH4]+ 349.06582 183.5
[M+K]+ 369.99516 162.7
[M+H-H2O]+ 314.02926 163.0
[M+HCOO]- 376.03020 191.5
[M+CH3COO]- 390.04585 213.0
[M+Na-2H]- 352.00667 173.5
[M]+ 331.03145 184.0
[M]- 331.03255 184.0
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.