CID 139596532

Iprodione tp1

Structural Information

Molecular Formula
C13H15Cl2N3O4
SMILES
CC(C)N(C(=O)NCC(=O)O)C(=O)NC1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C13H15Cl2N3O4/c1-7(2)18(12(21)16-6-11(19)20)13(22)17-10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,21)(H,17,22)(H,19,20)
InChIKey
OZUVLEPDBNHNST-UHFFFAOYSA-N
Compound name
2-[[(3,5-dichlorophenyl)carbamoyl-propan-2-ylcarbamoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

347.04398 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.051256 175.1
[M+Na]+ 370.033198 180.8
[M-H]- 346.036704 178.5
[M+NH4]+ 365.077803 188.8
[M+K]+ 386.007138 177.9
[M+H-H2O]+ 330.041240 170.3
[M+HCOO]- 392.042181 188.8
[M+CH3COO]- 406.057831 216.5
[M+Na-2H]- 368.018646 173.8
[M]+ 347.04343142 178.9
[M]- 347.04452858 178.9
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.