CID 119660

Naphthol as-d phosphate

Structural Information

Molecular Formula
C18H16NO5P
SMILES
CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)(O)O
InChI
InChI=1S/C18H16NO5P/c1-12-6-2-5-9-16(12)19-18(20)15-10-13-7-3-4-8-14(13)11-17(15)24-25(21,22)23/h2-11H,1H3,(H,19,20)(H2,21,22,23)
InChIKey
NQMNDWPDYBPJNO-UHFFFAOYSA-N
Compound name
[3-[(2-methylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

357.0766 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.08388 181.0
[M+Na]+ 380.06582 187.1
[M-H]- 356.06932 185.0
[M+NH4]+ 375.11042 193.1
[M+K]+ 396.03976 183.7
[M+H-H2O]+ 340.07386 170.7
[M+HCOO]- 402.07480 205.2
[M+CH3COO]- 416.09045 212.3
[M+Na-2H]- 378.05127 183.6
[M]+ 357.07605 182.2
[M]- 357.07715 182.2
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