CID 9584812

4-phenyl-3-buten-2-one (4-nitrophenyl)hydrazone

Structural Information

Molecular Formula
C16H15N3O2
SMILES
C/C(=N\NC1=CC=C(C=C1)[N+](=O)[O-])/C=C/C2=CC=CC=C2
InChI
InChI=1S/C16H15N3O2/c1-13(7-8-14-5-3-2-4-6-14)17-18-15-9-11-16(12-10-15)19(20)21/h2-12,18H,1H3/b8-7+,17-13+
InChIKey
YKLYFBYBGMTURT-UBFQYUKBSA-N
Compound name
4-nitro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.0
[M+Na]+ 304.10564 168.1
[M-H]- 280.10914 171.4
[M+NH4]+ 299.15024 178.4
[M+K]+ 320.07958 160.2
[M+H-H2O]+ 264.11368 159.7
[M+HCOO]- 326.11462 191.6
[M+CH3COO]- 340.13027 200.5
[M+Na-2H]- 302.09109 171.2
[M]+ 281.11587 161.2
[M]- 281.11697 161.2
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.