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

23
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 174.5
[M+Na]+ 331.09725 181.3
[M-H]- 307.10075 184.9
[M+NH4]+ 326.14185 191.5
[M+K]+ 347.07119 173.5
[M+H-H2O]+ 291.10529 165.9
[M+HCOO]- 353.10623 197.1
[M+CH3COO]- 367.12188 186.0
[M+Na-2H]- 329.08270 177.6
[M]+ 308.10748 174.0
[M]- 308.10858 174.0
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