CID 3025656

4-(((5-chloro-2-hydroxyphenyl)(2-chlorophenyl)methylene)amino)pentanamide

Structural Information

Molecular Formula
C18H18Cl2N2O2
SMILES
CC(CCC(=O)N)N=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C18H18Cl2N2O2/c1-11(6-9-17(21)24)22-18(13-4-2-3-5-15(13)20)14-10-12(19)7-8-16(14)23/h2-5,7-8,10-11,23H,6,9H2,1H3,(H2,21,24)
InChIKey
UNOFVUASZGYCBU-UHFFFAOYSA-N
Compound name
4-[[(5-chloro-2-hydroxyphenyl)-(2-chlorophenyl)methylidene]amino]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.07452 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08180 183.8
[M+Na]+ 387.06374 190.7
[M-H]- 363.06724 189.3
[M+NH4]+ 382.10834 196.9
[M+K]+ 403.03768 184.1
[M+H-H2O]+ 347.07178 177.6
[M+HCOO]- 409.07272 196.7
[M+CH3COO]- 423.08837 219.1
[M+Na-2H]- 385.04919 182.6
[M]+ 364.07397 186.6
[M]- 364.07507 186.6
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.