CID 5937479

Nsc630728

Structural Information

Molecular Formula
C18H34NO7P
SMILES
CCOP(=O)(C/C=C/CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OCC
InChI
InChI=1S/C18H34NO7P/c1-9-23-27(22,24-10-2)14-12-11-13-19(15(20)25-17(3,4)5)16(21)26-18(6,7)8/h11-12H,9-10,13-14H2,1-8H3/b12-11+
InChIKey
XHBKLPWSTCHHRU-VAWYXSNFSA-N
Compound name
tert-butyl N-[(E)-4-diethoxyphosphorylbut-2-enyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.20728 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.21456 199.6
[M+Na]+ 430.19650 209.0
[M-H]- 406.20000 205.4
[M+NH4]+ 425.24110 212.8
[M+K]+ 446.17044 204.2
[M+H-H2O]+ 390.20454 191.7
[M+HCOO]- 452.20548 214.9
[M+CH3COO]- 466.22113 226.7
[M+Na-2H]- 428.18195 191.2
[M]+ 407.20673 202.6
[M]- 407.20783 202.6
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.