CID 91358

25252-92-0

Structural Information

Molecular Formula
C20H18ClNO5
SMILES
COC1=CC2=CC(=C(C=C2C=C1)O)C(=O)NC3=CC(=C(C=C3OC)Cl)OC
InChI
InChI=1S/C20H18ClNO5/c1-25-13-5-4-11-8-17(23)14(7-12(11)6-13)20(24)22-16-10-18(26-2)15(21)9-19(16)27-3/h4-10,23H,1-3H3,(H,22,24)
InChIKey
XIMFIRVKPMICRK-UHFFFAOYSA-N
Compound name
N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-7-methoxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

387.08734 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.09462 187.1
[M+Na]+ 410.07656 196.6
[M-H]- 386.08006 194.2
[M+NH4]+ 405.12116 200.1
[M+K]+ 426.05050 192.2
[M+H-H2O]+ 370.08460 179.5
[M+HCOO]- 432.08554 204.2
[M+CH3COO]- 446.10119 221.2
[M+Na-2H]- 408.06201 189.5
[M]+ 387.08679 195.0
[M]- 387.08789 195.0
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