CID 74715

1919-91-1

Structural Information

Molecular Formula
C18H15BrNO6P
SMILES
COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)OP(=O)(O)O
InChI
InChI=1S/C18H15BrNO6P/c1-25-16-5-3-2-4-15(16)20-18(21)14-9-12-8-13(19)7-6-11(12)10-17(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)
InChIKey
HUXIAXQSTATULQ-UHFFFAOYSA-N
Compound name
[6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

993
Patents

450.98203 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.98931 200.6
[M+Na]+ 473.97125 208.9
[M-H]- 449.97475 206.7
[M+NH4]+ 469.01585 212.5
[M+K]+ 489.94519 198.4
[M+H-H2O]+ 433.97929 195.6
[M+HCOO]- 495.98023 221.4
[M+CH3COO]- 509.99588 223.4
[M+Na-2H]- 471.95670 202.6
[M]+ 450.98148 221.2
[M]- 450.98258 221.2
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