CID 198315

Brn 0836373

Structural Information

Molecular Formula
C16H27N2O4PS
SMILES
CC(C)OP(=S)(OC1=NN=C(C=C1)OC2CCCCC2)OC(C)C
InChI
InChI=1S/C16H27N2O4PS/c1-12(2)20-23(24,21-13(3)4)22-16-11-10-15(17-18-16)19-14-8-6-5-7-9-14/h10-14H,5-9H2,1-4H3
InChIKey
UZYNWMAEMBPVLV-UHFFFAOYSA-N
Compound name
(6-cyclohexyloxypyridazin-3-yl)oxy-di(propan-2-yloxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1429 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15018 184.8
[M+Na]+ 397.13212 187.0
[M-H]- 373.13562 186.1
[M+NH4]+ 392.17672 194.5
[M+K]+ 413.10606 185.7
[M+H-H2O]+ 357.14016 173.3
[M+HCOO]- 419.14110 199.5
[M+CH3COO]- 433.15675 215.5
[M+Na-2H]- 395.11757 181.3
[M]+ 374.14235 188.0
[M]- 374.14345 188.0
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.