CID 6372215

Nsc626664

Structural Information

Molecular Formula
C33H57N2O3PSn
SMILES
CCCC[Sn](CCCC)(CCCC)CN1CCC(=O)CC1C/C=C/P2(=O)N(C(C(O2)C3=CC=CC=C3)C)C(C)C
InChI
InChI=1S/C21H30N2O3P.3C4H9.Sn/c1-16(2)23-17(3)21(18-9-6-5-7-10-18)26-27(23,25)14-8-11-19-15-20(24)12-13-22(19)4;3*1-3-4-2;/h5-10,14,16-17,19,21H,4,11-13,15H2,1-3H3;3*1,3-4H2,2H3;/b14-8+;;;;
InChIKey
AQBOCRFSIVGIJP-HXVBAQSJSA-N
Compound name
2-[(E)-3-(4-methyl-2-oxo-5-phenyl-3-propan-2-yl-1,3,2lambda5-oxazaphospholidin-2-yl)prop-2-enyl]-1-(tributylstannylmethyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

680.31287 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 681.32015 271.8
[M+Na]+ 703.30209 269.9
[M-H]- 679.30559 274.0
[M+NH4]+ 698.34669 274.4
[M+K]+ 719.27603 264.3
[M+H-H2O]+ 663.31013 257.8
[M+HCOO]- 725.31107 282.7
[M+CH3COO]- 739.32672 264.5
[M+Na-2H]- 701.28754 257.4
[M]+ 680.31232 274.0
[M]- 680.31342 274.0
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.