CID 3061916

2-(heptylimino-(2-chlorophenyl)methyl)-4-chlorophenol

Structural Information

Molecular Formula
C20H23Cl2NO
SMILES
CCCCCCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C20H23Cl2NO/c1-2-3-4-5-8-13-23-20(16-9-6-7-10-18(16)22)17-14-15(21)11-12-19(17)24/h6-7,9-12,14,24H,2-5,8,13H2,1H3
InChIKey
LSFXHYGMWOZWES-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-heptylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.11566 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12294 187.2
[M+Na]+ 386.10488 202.3
[M+NH4]+ 381.14948 195.7
[M+K]+ 402.07882 191.6
[M-H]- 362.10838 192.3
[M+Na-2H]- 384.09033 195.2
[M]+ 363.11511 191.6
[M]- 363.11621 191.6
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.