CID 495451

Nsc655365

Structural Information

Molecular Formula
C34H35N2O6P
SMILES
CN(C(CC=C)P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C34H35N2O6P/c1-3-16-32(43(39,41-29-21-12-6-13-22-29)42-30-23-14-7-15-24-30)36(2)33(37)31(25-27-17-8-4-9-18-27)35-34(38)40-26-28-19-10-5-11-20-28/h3-15,17-24,31-32H,1,16,25-26H2,2H3,(H,35,38)
InChIKey
JPYACDVCLRDPPA-UHFFFAOYSA-N
Compound name
benzyl N-[1-[1-diphenoxyphosphorylbut-3-enyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

598.22327 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 599.23055 243.3
[M+Na]+ 621.21249 239.3
[M-H]- 597.21599 252.7
[M+NH4]+ 616.25709 243.0
[M+K]+ 637.18643 237.8
[M+H-H2O]+ 581.22053 227.2
[M+HCOO]- 643.22147 265.9
[M+CH3COO]- 657.23712 263.3
[M+Na-2H]- 619.19794 239.5
[M]+ 598.22272 245.4
[M]- 598.22382 245.4
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

No patent data available for this compound.