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]+ 348.05126 175.1
[M+Na]+ 370.03320 180.8
[M-H]- 346.03670 178.5
[M+NH4]+ 365.07780 188.8
[M+K]+ 386.00714 177.9
[M+H-H2O]+ 330.04124 170.3
[M+HCOO]- 392.04218 188.8
[M+CH3COO]- 406.05783 216.5
[M+Na-2H]- 368.01865 173.8
[M]+ 347.04343 178.9
[M]- 347.04453 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.