CID 3061935

2-((1-ethylpropyl)imino-(2-chlorophenyl)methyl)-4-chlorophenol

Structural Information

Molecular Formula
C18H19Cl2NO
SMILES
CCC(CC)N=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C18H19Cl2NO/c1-3-13(4-2)21-18(14-7-5-6-8-16(14)20)15-11-12(19)9-10-17(15)22/h5-11,13,22H,3-4H2,1-2H3
InChIKey
OMQQRCYUMCZPKH-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-pentan-3-ylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.08438 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09166 176.9
[M+Na]+ 358.07360 184.7
[M-H]- 334.07710 182.7
[M+NH4]+ 353.11820 192.0
[M+K]+ 374.04754 177.7
[M+H-H2O]+ 318.08164 170.7
[M+HCOO]- 380.08258 189.8
[M+CH3COO]- 394.09823 212.4
[M+Na-2H]- 356.05905 177.4
[M]+ 335.08383 181.0
[M]- 335.08493 181.0
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

No patent data available for this compound.