CID 3019924

84522-15-6

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 183.1
[M+Na]+ 396.06075 188.9
[M-H]- 372.06425 187.0
[M+NH4]+ 391.10535 194.3
[M+K]+ 412.03469 186.3
[M+H-H2O]+ 356.06879 172.5
[M+HCOO]- 418.06973 207.4
[M+CH3COO]- 432.08538 214.6
[M+Na-2H]- 394.04620 186.1
[M]+ 373.07098 185.6
[M]- 373.07208 185.6
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