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]+ 282.123696 164.0
[M+Na]+ 304.105638 168.1
[M-H]- 280.109144 171.4
[M+NH4]+ 299.150243 178.4
[M+K]+ 320.079578 160.2
[M+H-H2O]+ 264.113680 159.7
[M+HCOO]- 326.114621 191.6
[M+CH3COO]- 340.130271 200.5
[M+Na-2H]- 302.091086 171.2
[M]+ 281.11587142 161.2
[M]- 281.11696858 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.