CID 74136

Naphthol as-mx phosphate

Structural Information

Molecular Formula
C19H18NO5P
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)(O)O)C
InChI
InChI=1S/C19H18NO5P/c1-12-7-8-17(13(2)9-12)20-19(21)16-10-14-5-3-4-6-15(14)11-18(16)25-26(22,23)24/h3-11H,1-2H3,(H,20,21)(H2,22,23,24)
InChIKey
IOMLBTHPCVDRHM-UHFFFAOYSA-N
Compound name
[3-[(2,4-dimethylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1662
Patents

371.09225 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.09953 185.9
[M+Na]+ 394.08147 192.4
[M-H]- 370.08497 190.0
[M+NH4]+ 389.12607 197.7
[M+K]+ 410.05541 188.9
[M+H-H2O]+ 354.08951 175.5
[M+HCOO]- 416.09045 209.6
[M+CH3COO]- 430.10610 216.6
[M+Na-2H]- 392.06692 187.3
[M]+ 371.09170 187.8
[M]- 371.09280 187.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe