CID 73665

Prochloraz

Structural Information

Molecular Formula
C15H16Cl3N3O2
SMILES
CCCN(CCOC1=C(C=C(C=C1Cl)Cl)Cl)C(=O)N2C=CN=C2
InChI
InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
InChIKey
TVLSRXXIMLFWEO-UHFFFAOYSA-N
Compound name
N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

11060
References

83940
Patents

375.03082 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.03810 182.6
[M+Na]+ 398.02004 191.3
[M-H]- 374.02354 186.1
[M+NH4]+ 393.06464 195.6
[M+K]+ 413.99398 185.7
[M+H-H2O]+ 358.02808 174.4
[M+HCOO]- 420.02902 190.3
[M+CH3COO]- 434.04467 216.9
[M+Na-2H]- 396.00549 181.5
[M]+ 375.03027 189.8
[M]- 375.03137 189.8
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