CID 336378

76105-55-0

Structural Information

Molecular Formula
C16H25N2O5PS
SMILES
CC1(COP(=S)(OC1)OC2=C(C(=O)N(N=C2)C3CCCCC3)OC)C
InChI
InChI=1S/C16H25N2O5PS/c1-16(2)10-21-24(25,22-11-16)23-13-9-17-18(15(19)14(13)20-3)12-7-5-4-6-8-12/h9,12H,4-8,10-11H2,1-3H3
InChIKey
CBVRUKSFPQLWDV-UHFFFAOYSA-N
Compound name
2-cyclohexyl-5-[(5,5-dimethyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl)oxy]-4-methoxypyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

388.1222 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12948 182.5
[M+Na]+ 411.11142 188.2
[M-H]- 387.11492 188.7
[M+NH4]+ 406.15602 193.1
[M+K]+ 427.08536 188.6
[M+H-H2O]+ 371.11946 171.1
[M+HCOO]- 433.12040 196.5
[M+CH3COO]- 447.13605 215.5
[M+Na-2H]- 409.09687 181.8
[M]+ 388.12165 184.1
[M]- 388.12275 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.