CID 5388619

Nsc637313

Structural Information

Molecular Formula
C15H21N2O3P
SMILES
CCOP(=O)(/C(=C/C1=CC=C(C=C1)N(C)C)/C#N)OCC
InChI
InChI=1S/C15H21N2O3P/c1-5-19-21(18,20-6-2)15(12-16)11-13-7-9-14(10-8-13)17(3)4/h7-11H,5-6H2,1-4H3/b15-11+
InChIKey
CBROYSPZMNALMV-RVDMUPIBSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12897 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13625 170.3
[M+Na]+ 331.11819 177.4
[M-H]- 307.12169 173.1
[M+NH4]+ 326.16279 184.3
[M+K]+ 347.09213 175.9
[M+H-H2O]+ 291.12623 154.8
[M+HCOO]- 353.12717 193.9
[M+CH3COO]- 367.14282 221.0
[M+Na-2H]- 329.10364 170.4
[M]+ 308.12842 170.5
[M]- 308.12952 170.5
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.