CID 11948151

Schembl12155412

Structural Information

Molecular Formula
C23H17ClN2O3
SMILES
COC1=CC=C(C=C1)NC2=C(C(=O)OC3=CC=CC=C32)C=NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H17ClN2O3/c1-28-18-12-10-17(11-13-18)26-22-19-4-2-3-5-21(19)29-23(27)20(22)14-25-16-8-6-15(24)7-9-16/h2-14,26H,1H3
InChIKey
YKNITDBVNSHIOZ-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)iminomethyl]-4-(4-methoxyanilino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

404.09277 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.10005 197.5
[M+Na]+ 427.08199 207.3
[M-H]- 403.08549 210.3
[M+NH4]+ 422.12659 208.7
[M+K]+ 443.05593 201.6
[M+H-H2O]+ 387.09003 187.0
[M+HCOO]- 449.09097 218.4
[M+CH3COO]- 463.10662 208.6
[M+Na-2H]- 425.06744 203.7
[M]+ 404.09222 203.9
[M]- 404.09332 203.9
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

patents stripe