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

670
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

literature stripe

Patent stripe

patents stripe