CID 365772

Nsc633843

Structural Information

Molecular Formula
C21H20N3O7P
SMILES
C1=CC=C(C=C1)C(N)P(=O)(OCC2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C21H20N3O7P/c22-21(18-4-2-1-3-5-18)32(29,30-14-16-6-10-19(11-7-16)23(25)26)31-15-17-8-12-20(13-9-17)24(27)28/h1-13,21H,14-15,22H2
InChIKey
ZIFDSULKAVPTHE-UHFFFAOYSA-N
Compound name
bis[(4-nitrophenyl)methoxy]phosphoryl-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.10388 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.11116 200.4
[M+Na]+ 480.09310 199.8
[M-H]- 456.09660 207.5
[M+NH4]+ 475.13770 205.0
[M+K]+ 496.06704 189.6
[M+H-H2O]+ 440.10114 195.9
[M+HCOO]- 502.10208 227.2
[M+CH3COO]- 516.11773 221.3
[M+Na-2H]- 478.07855 207.1
[M]+ 457.10333 197.6
[M]- 457.10443 197.6
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

No patent data available for this compound.