CID 84137

Naphthol as phosphate

Structural Information

Molecular Formula
C17H14NO5P
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)(O)O
InChI
InChI=1S/C17H14NO5P/c19-17(18-14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-16(15)23-24(20,21)22/h1-11H,(H,18,19)(H2,20,21,22)
InChIKey
KVIYXIWBXOQZDN-UHFFFAOYSA-N
Compound name
[3-(phenylcarbamoyl)naphthalen-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

125
Patents

343.06097 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.06825 177.0
[M+Na]+ 366.05019 188.7
[M+NH4]+ 361.09479 182.8
[M+K]+ 382.02413 183.7
[M-H]- 342.05369 179.3
[M+Na-2H]- 364.03564 183.5
[M]+ 343.06042 179.0
[M]- 343.06152 179.0
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