CID 3019924

Naphthol as-ol phosphate

Structural Information

Molecular Formula
C18H16NO6P
SMILES
COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)(O)O
InChI
InChI=1S/C18H16NO6P/c1-24-16-9-5-4-8-15(16)19-18(20)14-10-12-6-2-3-7-13(12)11-17(14)25-26(21,22)23/h2-11H,1H3,(H,19,20)(H2,21,22,23)
InChIKey
OQFPBLDHWBQYNM-UHFFFAOYSA-N
Compound name
[3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

373.07153 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.07881 184.1
[M+Na]+ 396.06075 195.4
[M+NH4]+ 391.10535 189.1
[M+K]+ 412.03469 191.0
[M-H]- 372.06425 185.9
[M+Na-2H]- 394.04620 189.7
[M]+ 373.07098 185.9
[M]- 373.07208 185.9
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