CID 382174

Nsc669633

Structural Information

Molecular Formula
C20H23N2O4P
SMILES
COP(=O)(C)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C20H23N2O4P/c1-25-27(2,24)19(12-16-13-21-18-11-7-6-10-17(16)18)22-20(23)26-14-15-8-4-3-5-9-15/h3-11,13,19,21H,12,14H2,1-2H3,(H,22,23)
InChIKey
ZYBIYCYBPVQLCJ-UHFFFAOYSA-N
Compound name
benzyl N-[2-(1H-indol-3-yl)-1-[methoxy(methyl)phosphoryl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.13956 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14684 192.7
[M+Na]+ 409.12878 197.0
[M-H]- 385.13228 196.2
[M+NH4]+ 404.17338 204.4
[M+K]+ 425.10272 193.5
[M+H-H2O]+ 369.13682 181.6
[M+HCOO]- 431.13776 217.4
[M+CH3COO]- 445.15341 217.8
[M+Na-2H]- 407.11423 193.2
[M]+ 386.13901 195.9
[M]- 386.14011 195.9
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.