CID 3061917

80018-13-9

Structural Information

Molecular Formula
C20H23Cl2NO
SMILES
CC(C)C(C(C)C)N=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C20H23Cl2NO/c1-12(2)19(13(3)4)23-20(15-7-5-6-8-17(15)22)16-11-14(21)9-10-18(16)24/h5-13,19,24H,1-4H3
InChIKey
IHOXFJHFSYJPRR-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)carbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.11566 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.12294 184.1
[M+Na]+ 386.10488 190.5
[M-H]- 362.10838 189.8
[M+NH4]+ 381.14948 197.9
[M+K]+ 402.07882 184.1
[M+H-H2O]+ 346.11292 178.0
[M+HCOO]- 408.11386 194.5
[M+CH3COO]- 422.12951 220.0
[M+Na-2H]- 384.09033 181.4
[M]+ 363.11511 187.9
[M]- 363.11621 187.9
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.