CID 3042366

59631-22-0

Structural Information

Molecular Formula
C16H21N2O5PS
SMILES
CCOP(=S)(OC1=C(C(=O)N(N=C1)C2=CC=CC=C2)OC)OC(C)C
InChI
InChI=1S/C16H21N2O5PS/c1-5-21-24(25,22-12(2)3)23-14-11-17-18(16(19)15(14)20-4)13-9-7-6-8-10-13/h6-12H,5H2,1-4H3
InChIKey
CFJWGWZIHZMYPN-UHFFFAOYSA-N
Compound name
5-[ethoxy(propan-2-yloxy)phosphinothioyl]oxy-4-methoxy-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.09088 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09816 184.8
[M+Na]+ 407.08010 192.0
[M-H]- 383.08360 188.0
[M+NH4]+ 402.12470 194.7
[M+K]+ 423.05404 189.4
[M+H-H2O]+ 367.08814 173.1
[M+HCOO]- 429.08908 204.9
[M+CH3COO]- 443.10473 217.3
[M+Na-2H]- 405.06555 183.7
[M]+ 384.09033 193.8
[M]- 384.09143 193.8
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.