CID 827949

63856-99-5

Structural Information

Molecular Formula
C19H17ClN2
SMILES
C\1CC(=C(/C1=C/NC2=CC=CC=C2)Cl)C=NC3=CC=CC=C3
InChI
InChI=1S/C19H17ClN2/c20-19-15(13-21-17-7-3-1-4-8-17)11-12-16(19)14-22-18-9-5-2-6-10-18/h1-10,13-14,21H,11-12H2/b15-13+,22-14?
InChIKey
DQTPZLSLOQMAOA-DJAPPVTHSA-N
Compound name
N-[(E)-[2-chloro-3-(phenyliminomethyl)cyclopent-2-en-1-ylidene]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

308.10803 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11531 175.0
[M+Na]+ 331.09725 189.7
[M+NH4]+ 326.14185 184.7
[M+K]+ 347.07119 180.4
[M-H]- 307.10075 183.2
[M+Na-2H]- 329.08270 185.9
[M]+ 308.10748 179.7
[M]- 308.10858 179.7
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