CID 382175

Nsc669634

Structural Information

Molecular Formula
C20H23N2O5P
SMILES
COP(=O)(C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3)OC
InChI
InChI=1S/C20H23N2O5P/c1-25-28(24,26-2)19(12-16-13-21-18-11-7-6-10-17(16)18)22-20(23)27-14-15-8-4-3-5-9-15/h3-11,13,19,21H,12,14H2,1-2H3,(H,22,23)
InChIKey
JNPODQMCWPFDKV-UHFFFAOYSA-N
Compound name
benzyl N-[1-dimethoxyphosphoryl-2-(1H-indol-3-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

402.13446 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14174 194.7
[M+Na]+ 425.12368 198.6
[M-H]- 401.12718 198.2
[M+NH4]+ 420.16828 205.5
[M+K]+ 441.09762 196.0
[M+H-H2O]+ 385.13172 183.3
[M+HCOO]- 447.13266 219.5
[M+CH3COO]- 461.14831 220.0
[M+Na-2H]- 423.10913 195.5
[M]+ 402.13391 199.2
[M]- 402.13501 199.2
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

patents stripe