CID 75794

2616-72-0

Structural Information

Molecular Formula
C18H15ClNO5P
SMILES
CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2OP(=O)(O)O
InChI
InChI=1S/C18H15ClNO5P/c1-11-8-14(19)6-7-16(11)20-18(21)15-9-12-4-2-3-5-13(12)10-17(15)25-26(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)
InChIKey
SHTFMUPUBYXPCD-UHFFFAOYSA-N
Compound name
[3-[(4-chloro-2-methylphenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

277
Patents

391.03763 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.04491 185.3
[M+Na]+ 414.02685 193.4
[M-H]- 390.03035 189.9
[M+NH4]+ 409.07145 197.5
[M+K]+ 430.00079 188.5
[M+H-H2O]+ 374.03489 176.3
[M+HCOO]- 436.03583 205.2
[M+CH3COO]- 450.05148 217.1
[M+Na-2H]- 412.01230 187.2
[M]+ 391.03708 189.6
[M]- 391.03818 189.6
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