CID 5368838

N-(5-(phenylamino)penta-2,5-dienylidene)aniline monohydrochloride

Structural Information

Molecular Formula
C17H16N2
SMILES
C1=CC=C(C=C1)N/C=C/C=C/C=NC2=CC=CC=C2
InChI
InChI=1S/C17H16N2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h1-15,18H/b9-3+,14-8+,19-15?
InChIKey
UDWRJSSBFBSTOO-LZQZHQDYSA-N
Compound name
N-[(1E,3E)-5-phenyliminopenta-1,3-dienyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

770
Patents

248.13135 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.13863 157.6
[M+Na]+ 271.12057 162.8
[M-H]- 247.12407 164.7
[M+NH4]+ 266.16517 174.4
[M+K]+ 287.09451 157.1
[M+H-H2O]+ 231.12861 149.0
[M+HCOO]- 293.12955 185.2
[M+CH3COO]- 307.14520 199.0
[M+Na-2H]- 269.10602 165.4
[M]+ 248.13080 155.9
[M]- 248.13190 155.9
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.