CID 26033

Pyrazophos

Structural Information

Molecular Formula
C14H20N3O5PS
SMILES
CCOC(=O)C1=CN2C(=CC(=N2)OP(=S)(OCC)OCC)N=C1C
InChI
InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3
InChIKey
JOOMJVFZQRQWKR-UHFFFAOYSA-N
Compound name
ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

18
References

29619
Patents

373.08612 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.09340 182.9
[M+Na]+ 396.07534 191.8
[M-H]- 372.07884 183.2
[M+NH4]+ 391.11994 195.3
[M+K]+ 412.04928 190.0
[M+H-H2O]+ 356.08338 172.8
[M+HCOO]- 418.08432 202.9
[M+CH3COO]- 432.09997 214.7
[M+Na-2H]- 394.06079 182.0
[M]+ 373.08557 195.3
[M]- 373.08667 195.3
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

patents stripe