CID 688214

63857-00-1

Structural Information

Molecular Formula
C20H19ClN2
SMILES
C1C/C(=C\NC2=CC=CC=C2)/C(=C(C1)C=NC3=CC=CC=C3)Cl
InChI
InChI=1S/C20H19ClN2/c21-20-16(14-22-18-10-3-1-4-11-18)8-7-9-17(20)15-23-19-12-5-2-6-13-19/h1-6,10-15,22H,7-9H2/b16-14+,23-15?
InChIKey
OQLQDSZUBLCILN-GHFXUULHSA-N
Compound name
N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

322.1237 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.13098 177.5
[M+Na]+ 345.11292 182.9
[M-H]- 321.11642 187.1
[M+NH4]+ 340.15752 191.9
[M+K]+ 361.08686 175.1
[M+H-H2O]+ 305.12096 168.2
[M+HCOO]- 367.12190 197.6
[M+CH3COO]- 381.13755 187.8
[M+Na-2H]- 343.09837 181.8
[M]+ 322.12315 175.2
[M]- 322.12425 175.2
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

patents stripe