CID 3281078

401615-74-5

Structural Information

Molecular Formula
C18H19ClN2O
SMILES
C1CCC(CC1)C2=CC(=C(C(=C2)Cl)O)N=CC3=CN=CC=C3
InChI
InChI=1S/C18H19ClN2O/c19-16-9-15(14-6-2-1-3-7-14)10-17(18(16)22)21-12-13-5-4-8-20-11-13/h4-5,8-12,14,22H,1-3,6-7H2
InChIKey
ZVQPLNYKKFHTCM-UHFFFAOYSA-N
Compound name
2-chloro-4-cyclohexyl-6-(pyridin-3-ylmethylideneamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1186 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12588 174.1
[M+Na]+ 337.10782 180.2
[M-H]- 313.11132 181.4
[M+NH4]+ 332.15242 187.3
[M+K]+ 353.08176 173.3
[M+H-H2O]+ 297.11586 164.6
[M+HCOO]- 359.11680 189.5
[M+CH3COO]- 373.13245 184.0
[M+Na-2H]- 335.09327 177.1
[M]+ 314.11805 171.5
[M]- 314.11915 171.5
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.