CID 52486

Nsc 91313

Structural Information

Molecular Formula
C20H22Cl2N2O2
SMILES
C1=CC(=C(C=C1Cl)CN=CCCCCC=NCC2=C(C=CC(=C2)Cl)O)O
InChI
InChI=1S/C20H22Cl2N2O2/c21-17-5-7-19(25)15(11-17)13-23-9-3-1-2-4-10-24-14-16-12-18(22)6-8-20(16)26/h5-12,25-26H,1-4,13-14H2
InChIKey
LEKUSVLMQYEXEG-UHFFFAOYSA-N
Compound name
4-chloro-2-[[6-[(5-chloro-2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.10583 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.11311 193.6
[M+Na]+ 415.09505 201.3
[M-H]- 391.09855 199.2
[M+NH4]+ 410.13965 206.3
[M+K]+ 431.06899 193.0
[M+H-H2O]+ 375.10309 186.3
[M+HCOO]- 437.10403 209.1
[M+CH3COO]- 451.11968 223.4
[M+Na-2H]- 413.08050 194.9
[M]+ 392.10528 199.8
[M]- 392.10638 199.8
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.