CID 5467935

Nsc660157

Structural Information

Molecular Formula
C17H21N2O3P
SMILES
CC(C)OP(=O)(/C(=C/C1=CNC2=CC=CC=C21)/C#N)OC(C)C
InChI
InChI=1S/C17H21N2O3P/c1-12(2)21-23(20,22-13(3)4)15(10-18)9-14-11-19-17-8-6-5-7-16(14)17/h5-9,11-13,19H,1-4H3/b15-9+
InChIKey
NQAGBAGRZOZXKP-OQLLNIDSSA-N
Compound name
(E)-2-di(propan-2-yloxy)phosphoryl-3-(1H-indol-3-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.12897 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13625 181.7
[M+Na]+ 355.11819 189.4
[M-H]- 331.12169 181.3
[M+NH4]+ 350.16279 194.7
[M+K]+ 371.09213 184.7
[M+H-H2O]+ 315.12623 166.0
[M+HCOO]- 377.12717 200.3
[M+CH3COO]- 391.14282 217.7
[M+Na-2H]- 353.10364 179.6
[M]+ 332.12842 179.8
[M]- 332.12952 179.8
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.