CID 5792256

1-(4-aminobenzylidene)indene

Structural Information

Molecular Formula
C16H13N
SMILES
C1=CC=C\2C(=C1)C=C/C2=C/C3=CC=C(C=C3)N
InChI
InChI=1S/C16H13N/c17-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)14/h1-11H,17H2/b14-11-
InChIKey
GISMNWZLKDONAA-KAMYIIQDSA-N
Compound name
4-[(Z)-inden-1-ylidenemethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.1048 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.112076 148.5
[M+Na]+ 242.094018 157.2
[M-H]- 218.097524 156.1
[M+NH4]+ 237.138623 169.4
[M+K]+ 258.067958 151.1
[M+H-H2O]+ 202.102060 141.8
[M+HCOO]- 264.103001 173.6
[M+CH3COO]- 278.118651 161.9
[M+Na-2H]- 240.079466 154.0
[M]+ 219.10425142 146.2
[M]- 219.10534858 146.2
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.