CID 382172

Nsc669631

Structural Information

Molecular Formula
C19H26NO6P
SMILES
CCOC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)C)P(=O)(OCC)OCC
InChI
InChI=1S/C19H26NO6P/c1-5-24-19(22)18(27(23,25-6-2)26-7-3)12-15-13-20(14(4)21)17-11-9-8-10-16(15)17/h8-11,13,18H,5-7,12H2,1-4H3
InChIKey
YQTBZDKZLZTNRV-UHFFFAOYSA-N
Compound name
ethyl 3-(1-acetylindol-3-yl)-2-diethoxyphosphorylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.14978 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.15706 194.7
[M+Na]+ 418.13900 200.4
[M-H]- 394.14250 196.6
[M+NH4]+ 413.18360 207.7
[M+K]+ 434.11294 199.5
[M+H-H2O]+ 378.14704 185.0
[M+HCOO]- 440.14798 218.6
[M+CH3COO]- 454.16363 221.5
[M+Na-2H]- 416.12445 192.4
[M]+ 395.14923 205.2
[M]- 395.15033 205.2
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.