CID 9888048

Schembl7689343

Structural Information

Molecular Formula
C25H19ClN2O2
SMILES
C1=CC=C(C=C1)/C=C/C2=NC3=C(C=C2)C=CC(=C3O)C(=O)NCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H19ClN2O2/c26-20-11-6-18(7-12-20)16-27-25(30)22-15-10-19-9-14-21(28-23(19)24(22)29)13-8-17-4-2-1-3-5-17/h1-15,29H,16H2,(H,27,30)/b13-8+
InChIKey
MBKXGQUAOCSQLS-MDWZMJQESA-N
Compound name
N-[(4-chlorophenyl)methyl]-8-hydroxy-2-[(E)-2-phenylethenyl]quinoline-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

414.1135 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.12078 199.9
[M+Na]+ 437.10272 207.5
[M-H]- 413.10622 207.3
[M+NH4]+ 432.14732 209.2
[M+K]+ 453.07666 198.2
[M+H-H2O]+ 397.11076 189.4
[M+HCOO]- 459.11170 214.6
[M+CH3COO]- 473.12735 208.3
[M+Na-2H]- 435.08817 203.2
[M]+ 414.11295 201.3
[M]- 414.11405 201.3
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

patents stripe