CID 9589122

Brn 4821836

Structural Information

Molecular Formula
C22H21N2O3P
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H21N2O3P/c1-27-19-14-12-18(13-15-19)16-23-24-22(25)17-28(26,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-16H,17H2,1H3,(H,24,25)/b23-16+
InChIKey
NFXZSQBRFNSYMJ-XQNSMLJCSA-N
Compound name
2-diphenylphosphoryl-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.12897 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.13625 194.1
[M+Na]+ 415.11819 197.7
[M-H]- 391.12169 202.9
[M+NH4]+ 410.16279 204.5
[M+K]+ 431.09213 193.6
[M+H-H2O]+ 375.12623 181.0
[M+HCOO]- 437.12717 223.7
[M+CH3COO]- 451.14282 226.0
[M+Na-2H]- 413.10364 196.4
[M]+ 392.12842 195.3
[M]- 392.12952 195.3
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.