CID 82295

10019-03-1

Structural Information

Molecular Formula
C17H13N2O7P
SMILES
C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])OP(=O)(O)O
InChI
InChI=1S/C17H13N2O7P/c20-17(18-13-6-3-7-14(10-13)19(21)22)15-8-11-4-1-2-5-12(11)9-16(15)26-27(23,24)25/h1-10H,(H,18,20)(H2,23,24,25)
InChIKey
JELNBKZALJBEFQ-UHFFFAOYSA-N
Compound name
[3-[(3-nitrophenyl)carbamoyl]naphthalen-2-yl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

388.04605 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.05333 179.1
[M+Na]+ 411.03527 183.0
[M-H]- 387.03877 183.2
[M+NH4]+ 406.07987 188.5
[M+K]+ 427.00921 176.7
[M+H-H2O]+ 371.04331 173.0
[M+HCOO]- 433.04425 204.4
[M+CH3COO]- 447.05990 209.9
[M+Na-2H]- 409.02072 186.1
[M]+ 388.04550 178.4
[M]- 388.04660 178.4
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