CID 122565

32179-67-2

Structural Information

Molecular Formula

C₁₉H₁₇ClNO₇P

SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)(O)O)OC)Cl

InChI

InChI=1S/C19H17ClNO7P/c1-26-17-10-15(18(27-2)9-14(17)20)21-19(22)13-7-11-5-3-4-6-12(11)8-16(13)28-29(23,24)25/h3-10H,1-2H3,(H,21,22)(H2,23,24,25)

InChIKey

ZVMLHPOCCZTQGX-UHFFFAOYSA-N

Compound name

[3-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 437.04312 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	438.050396	193.6
[M+Na]+	460.032338	201.3
[M-H]-	436.035844	198.3
[M+NH4]+	455.076943	203.9
[M+K]+	476.006278	198.4
[M+H-H2O]+	420.040380	184.1
[M+HCOO]-	482.041321	213.4
[M+CH3COO]-	496.056971	226.1
[M+Na-2H]-	458.017786	195.2
[M]+	437.04257142	201.4
[M]-	437.04366858	201.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.