CID 483990

Ethoxy-n-(2-oxo-5-phenylthio(1h,3h-benzo[d]1,3,2-diazaphospholin-2-yl))carboxamide

Structural Information

Molecular Formula
C15H16N3O3PS
SMILES
CCOC(=O)NP1(=O)NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C15H16N3O3PS/c1-2-21-15(19)18-22(20)16-13-9-8-12(10-14(13)17-22)23-11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H3,16,17,18,19,20)
InChIKey
SGZJYDKWJXQZNI-UHFFFAOYSA-N
Compound name
ethyl N-(2-oxo-5-phenylsulfanyl-1,3-dihydro-1,3,2lambda5-benzodiazaphosphol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.065 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.07228 173.0
[M+Na]+ 372.05422 179.6
[M-H]- 348.05772 174.2
[M+NH4]+ 367.09882 187.3
[M+K]+ 388.02816 174.4
[M+H-H2O]+ 332.06226 163.2
[M+HCOO]- 394.06320 192.0
[M+CH3COO]- 408.07885 205.0
[M+Na-2H]- 370.03967 172.9
[M]+ 349.06445 173.4
[M]- 349.06555 173.4
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.